2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid

C14H10BrClN2O3 — CID 107938249

IUPAC2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H10BrClN2O3/c15-10-3-9(4-11(16)6-10)13(19)18-7-12-5-8(14(20)21)1-2-17-12/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyHSMGJCFXIHNBAD-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.13
Rot. Bonds4

About 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 107938249) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID107938249
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H10BrClN2O3/c15-10-3-9(4-11(16)6-10)13(19)18-7-12-5-8(14(20)21)1-2-17-12/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyHSMGJCFXIHNBAD-UHFFFAOYSA-N
XLogP3.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-5-chlorobenzoyl)amino]pyridine-4-carboxylic acid
CID 107938052
2-[[(2-amino-4-bromobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324791
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324212
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113345383
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid (CID 107938249) is 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNC(=O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is HSMGJCFXIHNBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-10-3-9(4-11(16)6-10)13(19)18-7-12-5-8(14(20)21)1-2-17-12/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 369.60 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 107938249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).