potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide

C81H71Br5Cl7F5KN11NaO10P — CID 158662013

IUPACpotassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide
SMILESBrCc1ncccc1Br.C1CCOC1.CCOC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12.CO.Cc1ncccc1Br.ClC(Cl)(Cl)Cl.Fc1ccc(-c2ncc3c(Br)cccn23)cc1.NC(=O)c1ccc(F)cc1.O=C(NCc1ncccc1Br)c1ccc(F)cc1.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.O=P(Cl)(Cl)Cl.[H-].[K+].[Na+].[OH-]
InChIInChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C7H6FNO.C6H5Br2N.C6H6BrN.C4H8O.CCl4.CH4O.Cl3OP.K.Na.H2O.H/c1-2-21-16(20)13-4-3-9-19-14(13)10-18-15(19)11-5-7-12(17)8-6-11;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;14-11-2-1-7-16-12(11)8-17-13(18)9-3-5-10(15)6-4-9;14-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(15)6-4-9;8-6-3-1-5(2-4-6)7(9)10;7-4-6-5(8)2-1-3-9-6;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;2-1(3,4)5;1-2;1-5(2,3)4;;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-7H,8H2,(H,17,18);1-8H;1-4H,(H2,9,10);1-3H,4H2;2-4H,1H3;1-4H2;;2H,1H3;;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyMCPCFCUOENZBGM-UHFFFAOYSA-M
MW2194.27 g/mol
LogP18.50
Rot. Bonds11

About potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide

potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide (PubChem CID 158662013) has the molecular formula C81H71Br5Cl7F5KN11NaO10P and a molecular weight of 2194.27 g/mol. Its IUPAC name is potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide.

Molecular Properties

Compound Namepotassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide
PubChem CID158662013
Molecular FormulaC81H71Br5Cl7F5KN11NaO10P
Molecular Weight2194.27 g/mol
Exact Mass2184.83
IUPAC Namepotassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide
SMILESBrCc1ncccc1Br.C1CCOC1.CCOC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12.CO.Cc1ncccc1Br.ClC(Cl)(Cl)Cl.Fc1ccc(-c2ncc3c(Br)cccn23)cc1.NC(=O)c1ccc(F)cc1.O=C(NCc1ncccc1Br)c1ccc(F)cc1.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.O=P(Cl)(Cl)Cl.[H-].[K+].[Na+].[OH-]
InChIInChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C7H6FNO.C6H5Br2N.C6H6BrN.C4H8O.CCl4.CH4O.Cl3OP.K.Na.H2O.H/c1-2-21-16(20)13-4-3-9-19-14(13)10-18-15(19)11-5-7-12(17)8-6-11;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;14-11-2-1-7-16-12(11)8-17-13(18)9-3-5-10(15)6-4-9;14-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(15)6-4-9;8-6-3-1-5(2-4-6)7(9)10;7-4-6-5(8)2-1-3-9-6;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;2-1(3,4)5;1-2;1-5(2,3)4;;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-7H,8H2,(H,17,18);1-8H;1-4H,(H2,9,10);1-3H,4H2;2-4H,1H3;1-4H2;;2H,1H3;;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1
InChIKeyMCPCFCUOENZBGM-UHFFFAOYSA-M
XLogP18.50
TPSA302.89 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.27
LogP ≤ 518.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide with MolForge

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Related Compounds

CID 159293077
CID 159293077
6-tert-butylpyridin-3-amine;N-(6-tert-butyl-3-pyridinyl)-5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;(4,4-difluoropiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone;methyl 5-bromopyridine-3-carboxylate;methyl 5-[5-(4,4-difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylate
CID 165036982
potassium;1-bromo-4-fluorobenzene;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;hydroxide
CID 158807360
CID 159143205
CID 159143205
8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;bis(5-bromo-N-(3,4-difluorophenyl)-2-methylpyridine-3-carboxamide);5-bromo-2-methylpyridine-3-carboxylic acid;3,4-difluoroaniline;bis([5-[(3,4-difluorophenyl)carbamoyl]-6-methyl-3-pyridinyl]boronic acid);N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159801613
(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 161371376
potassium;8-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyrazine;(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]-4-fluorobenzamide;dichloromethane;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyrazine-8-carboxylate;4-fluorobenzoyl chloride;3-(4-fluorophenyl)imidazo[1,5-a]pyrazine-8-carboxylic acid;methanol;phosphoryl trichloride;hydroxide;hydrochloride
CID 161649374
(6-Amino-3-pyridinyl)-(1-ethylpiperidin-4-yl)methanone;(6-bromo-3-pyridinyl)-(1-ethylpiperidin-4-yl)methanone;(6-bromo-3-pyridinyl)-piperidin-4-ylmethanone;tert-butyl 4-(6-bromopyridine-3-carbonyl)piperidine-1-carboxylate;6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;bis((1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanol);(1-ethylpiperidin-4-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 161990490
6-(difluoromethyl)-N-[7-(2-hydroxypropan-2-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 2-amino-5-bromopyridine-4-carboxylate;methyl 6-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 165094628

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide?
The IUPAC name of potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide (CID 158662013) is potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide.
What is the SMILES notation for potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide?
The canonical SMILES for potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide is BrCc1ncccc1Br.C1CCOC1.CCOC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12.CO.Cc1ncccc1Br.ClC(Cl)(Cl)Cl.Fc1ccc(-c2ncc3c(Br)cccn23)cc1.NC(=O)c1ccc(F)cc1.O=C(NCc1ncccc1Br)c1ccc(F)cc1.O=C(O)c1cccn2c(-c3ccc(F)cc3)ncc12.O=P(Cl)(Cl)Cl.[H-].[K+].[Na+].[OH-].
What is the InChIKey of potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide?
The InChIKey is MCPCFCUOENZBGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C7H6FNO.C6H5Br2N.C6H6BrN.C4H8O.CCl4.CH4O.Cl3OP.K.Na.H2O.H/c1-2-21-16(20)13-4-3-9-19-14(13)10-18-15(19)11-5-7-12(17)8-6-11;15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13;14-11-2-1-7-16-12(11)8-17-13(18)9-3-5-10(15)6-4-9;14-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(15)6-4-9;8-6-3-1-5(2-4-6)7(9)10;7-4-6-5(8)2-1-3-9-6;1-5-6(7)3-2-4-8-5;1-2-4-5-3-1;2-1(3,4)5;1-2;1-5(2,3)4;;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-7H,8H2,(H,17,18);1-8H;1-4H,(H2,9,10);1-3H,4H2;2-4H,1H3;1-4H2;;2H,1H3;;;;1H2;/q;;;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide?
potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide has a molecular weight of 2194.27 g/mol, XLogP of 18.50, 11 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;3-bromo-2-(bromomethyl)pyridine;8-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;3-bromo-2-methylpyridine;N-[(3-bromo-2-pyridinyl)methyl]-4-fluorobenzamide;ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylate;4-fluorobenzamide;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid;hydride;methanol;oxolane;phosphoryl trichloride;tetrachloromethane;hydroxide is sourced from PubChem (CID 158662013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).