5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

C69H71BrF6N10O9 — CID 159409608

IUPAC5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESC.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1F.COc1ccc(CN)cc1.COc1ccc(CNc2ccc(Br)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)O)c(F)n2)cc1.COc1ccc(CNc2cccc(F)n2)cc1.Fc1cccc(F)n1
InChIInChI=1S/C15H15FN2O3.C14H13FN2O3.C13H12BrFN2O.C13H13FN2O.C8H11NO.C5H3F2N.CH4/c1-20-11-5-3-10(4-6-11)9-17-13-8-7-12(14(16)18-13)15(19)21-2;1-20-10-4-2-9(3-5-10)8-16-12-7-6-11(14(18)19)13(15)17-12;1-18-10-4-2-9(3-5-10)8-16-12-7-6-11(14)13(15)17-12;1-17-11-7-5-10(6-8-11)9-15-13-4-2-3-12(14)16-13;1-10-8-4-2-7(6-9)3-5-8;6-4-2-1-3-5(7)8-4;/h3-8H,9H2,1-2H3,(H,17,18);2-7H,8H2,1H3,(H,16,17)(H,18,19);2-7H,8H2,1H3,(H,16,17);2-8H,9H2,1H3,(H,15,16);2-5H,6,9H2,1H3;1-3H;1H4
InChIKeyLOKHHCACVHXROG-UHFFFAOYSA-N
MW1378.28 g/mol
LogP14.76
Rot. Bonds20

About 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate

5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 159409608) has the molecular formula C69H71BrF6N10O9 and a molecular weight of 1378.28 g/mol. Its IUPAC name is 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Name5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
PubChem CID159409608
Molecular FormulaC69H71BrF6N10O9
Molecular Weight1378.28 g/mol
Exact Mass1376.45
IUPAC Name5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
SMILESC.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1F.COc1ccc(CN)cc1.COc1ccc(CNc2ccc(Br)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)O)c(F)n2)cc1.COc1ccc(CNc2cccc(F)n2)cc1.Fc1cccc(F)n1
InChIInChI=1S/C15H15FN2O3.C14H13FN2O3.C13H12BrFN2O.C13H13FN2O.C8H11NO.C5H3F2N.CH4/c1-20-11-5-3-10(4-6-11)9-17-13-8-7-12(14(16)18-13)15(19)21-2;1-20-10-4-2-9(3-5-10)8-16-12-7-6-11(14(18)19)13(15)17-12;1-18-10-4-2-9(3-5-10)8-16-12-7-6-11(14)13(15)17-12;1-17-11-7-5-10(6-8-11)9-15-13-4-2-3-12(14)16-13;1-10-8-4-2-7(6-9)3-5-8;6-4-2-1-3-5(7)8-4;/h3-8H,9H2,1-2H3,(H,17,18);2-7H,8H2,1H3,(H,16,17)(H,18,19);2-7H,8H2,1H3,(H,16,17);2-8H,9H2,1H3,(H,15,16);2-5H,6,9H2,1H3;1-3H;1H4
InChIKeyLOKHHCACVHXROG-UHFFFAOYSA-N
XLogP14.76
TPSA248.34 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001378.28
LogP ≤ 514.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-amino-2-methoxypyridine-3-carboxylate;methyl 2-methoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 162052936
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
CID 170993950
3,5-dibromo-2-(bromomethyl)-6-fluoropyridine;N-[(3,5-dibromo-6-fluoro-2-pyridinyl)methyl]-1-(4-methoxyphenyl)methanamine;(4-methoxyphenyl)methanamine
CID 160762185
N-[(4-butoxyphenyl)methyl]-6-fluoropyridin-2-amine
CID 116519990
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate (CID 159409608) is 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is C.COC(=O)c1ccc(NCc2ccc(OC)cc2)nc1F.COc1ccc(CN)cc1.COc1ccc(CNc2ccc(Br)c(F)n2)cc1.COc1ccc(CNc2ccc(C(=O)O)c(F)n2)cc1.COc1ccc(CNc2cccc(F)n2)cc1.Fc1cccc(F)n1.
What is the InChIKey of 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is LOKHHCACVHXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3.C14H13FN2O3.C13H12BrFN2O.C13H13FN2O.C8H11NO.C5H3F2N.CH4/c1-20-11-5-3-10(4-6-11)9-17-13-8-7-12(14(16)18-13)15(19)21-2;1-20-10-4-2-9(3-5-10)8-16-12-7-6-11(14(18)19)13(15)17-12;1-18-10-4-2-9(3-5-10)8-16-12-7-6-11(14)13(15)17-12;1-17-11-7-5-10(6-8-11)9-15-13-4-2-3-12(14)16-13;1-10-8-4-2-7(6-9)3-5-8;6-4-2-1-3-5(7)8-4;/h3-8H,9H2,1-2H3,(H,17,18);2-7H,8H2,1H3,(H,16,17)(H,18,19);2-7H,8H2,1H3,(H,16,17);2-8H,9H2,1H3,(H,15,16);2-5H,6,9H2,1H3;1-3H;1H4.
What are the key properties of 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate?
5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 1378.28 g/mol, XLogP of 14.76, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;2,6-difluoropyridine;2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;methane;(4-methoxyphenyl)methanamine;methyl 2-fluoro-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 159409608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).