5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane

C40H49Br4FN10O6 — CID 158511373

IUPAC5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane
SMILESC.C.C.CNC(=O)c1ncc(Br)cc1N1CCOCC1.N#Cc1ncc(Br)cc1F.N#Cc1ncc(Br)cc1N1CCOCC1.O=C(O)c1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H14BrN3O2.C10H10BrN3O.C10H11BrN2O3.C6H2BrFN2.3CH4/c1-13-11(16)10-9(6-8(12)7-14-10)15-2-4-17-5-3-15;11-8-5-10(9(6-12)13-7-8)14-1-3-15-4-2-14;11-7-5-8(9(10(14)15)12-6-7)13-1-3-16-4-2-13;7-4-1-5(8)6(2-9)10-3-4;;;/h6-7H,2-5H2,1H3,(H,13,16);5,7H,1-4H2;5-6H,1-4H2,(H,14,15);1,3H;3*1H4
InChIKeyHLCFOHWFFMTOSW-UHFFFAOYSA-N
MW1104.51 g/mol
LogP7.73
Rot. Bonds5

About 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane

5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane (PubChem CID 158511373) has the molecular formula C40H49Br4FN10O6 and a molecular weight of 1104.51 g/mol. Its IUPAC name is 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane.

Molecular Properties

Compound Name5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane
PubChem CID158511373
Molecular FormulaC40H49Br4FN10O6
Molecular Weight1104.51 g/mol
Exact Mass1100.06
IUPAC Name5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane
SMILESC.C.C.CNC(=O)c1ncc(Br)cc1N1CCOCC1.N#Cc1ncc(Br)cc1F.N#Cc1ncc(Br)cc1N1CCOCC1.O=C(O)c1ncc(Br)cc1N1CCOCC1
InChIInChI=1S/C11H14BrN3O2.C10H10BrN3O.C10H11BrN2O3.C6H2BrFN2.3CH4/c1-13-11(16)10-9(6-8(12)7-14-10)15-2-4-17-5-3-15;11-8-5-10(9(6-12)13-7-8)14-1-3-15-4-2-14;11-7-5-8(9(10(14)15)12-6-7)13-1-3-16-4-2-13;7-4-1-5(8)6(2-9)10-3-4;;;/h6-7H,2-5H2,1H3,(H,13,16);5,7H,1-4H2;5-6H,1-4H2,(H,14,15);1,3H;3*1H4
InChIKeyHLCFOHWFFMTOSW-UHFFFAOYSA-N
XLogP7.73
TPSA202.95 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.51
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane with MolForge

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Related Compounds

5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid
CID 159738484
3-Bromopyridine-2-carboxylic acid;3-chloropyrazine-2-carbonitrile;3-deuteriopyrazine-2-carboxylic acid;3-deuteriopyridine-2-carboxylic acid;methyl 3-bromopyridine-2-carboxylate;methyl 3-deuteriopyridine-2-carboxylate
CID 160170783
3-amino-5-bromopyridine-2-carboxylic acid;6-bromo-13,13-dimethyl-1,4,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one;deuterio(fluoro)methane;5,5-dimethylpiperidin-2-one;bis(13,13-dimethyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one);2-ethynylpyridine;6-methoxy-3,3-dimethyl-4,5-dihydro-2H-pyridine
CID 160323112
6-Bromopyridine-2-carboxylic acid;tert-butyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperazine-1-carboxylate
CID 162018881

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane?
The IUPAC name of 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane (CID 158511373) is 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane.
What is the SMILES notation for 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane?
The canonical SMILES for 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane is C.C.C.CNC(=O)c1ncc(Br)cc1N1CCOCC1.N#Cc1ncc(Br)cc1F.N#Cc1ncc(Br)cc1N1CCOCC1.O=C(O)c1ncc(Br)cc1N1CCOCC1.
What is the InChIKey of 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane?
The InChIKey is HLCFOHWFFMTOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2.C10H10BrN3O.C10H11BrN2O3.C6H2BrFN2.3CH4/c1-13-11(16)10-9(6-8(12)7-14-10)15-2-4-17-5-3-15;11-8-5-10(9(6-12)13-7-8)14-1-3-15-4-2-14;11-7-5-8(9(10(14)15)12-6-7)13-1-3-16-4-2-13;7-4-1-5(8)6(2-9)10-3-4;;;/h6-7H,2-5H2,1H3,(H,13,16);5,7H,1-4H2;5-6H,1-4H2,(H,14,15);1,3H;3*1H4.
What are the key properties of 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane?
5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane has a molecular weight of 1104.51 g/mol, XLogP of 7.73, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoropyridine-2-carbonitrile;5-bromo-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile;5-bromo-3-morpholin-4-ylpyridine-2-carboxylic acid;methane is sourced from PubChem (CID 158511373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).