2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid

C13H7BrCl2N2O3 — CID 107048547

IUPAC2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C13H7BrCl2N2O3/c14-6-1-4-9(17-5-6)12(19)18-11-8(16)3-2-7(15)10(11)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyMFDVAWXAPSZTTL-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.10
Rot. Bonds3

About 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid

2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid (PubChem CID 107048547) has the molecular formula C13H7BrCl2N2O3 and a molecular weight of 390.02 g/mol. Its IUPAC name is 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
PubChem CID107048547
Molecular FormulaC13H7BrCl2N2O3
Molecular Weight390.02 g/mol
Exact Mass387.90
IUPAC Name2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C13H7BrCl2N2O3/c14-6-1-4-9(17-5-6)12(19)18-11-8(16)3-2-7(15)10(11)13(20)21/h1-5H,(H,18,19)(H,20,21)
InChIKeyMFDVAWXAPSZTTL-UHFFFAOYSA-N
XLogP4.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
CID 107047863
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791
3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 107048836
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
3-[(5-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262373
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
5-[(5-bromopyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 55153618
3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
CID 107048071

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid?
The IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid (CID 107048547) is 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid?
The canonical SMILES for 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid is O=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid?
The InChIKey is MFDVAWXAPSZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O3/c14-6-1-4-9(17-5-6)12(19)18-11-8(16)3-2-7(15)10(11)13(20)21/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid?
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid has a molecular weight of 390.02 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid is sourced from PubChem (CID 107048547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).