6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid

C13H10BrClN2O2 — CID 29038766

IUPAC6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(C(=O)O)n2)ccc1Br
InChIInChI=1S/C13H10BrClN2O2/c1-7-6-8(2-3-9(7)14)16-11-5-4-10(15)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMJTBFVPUIISSDK-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.25
Rot. Bonds3

About 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid

6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid (PubChem CID 29038766) has the molecular formula C13H10BrClN2O2 and a molecular weight of 341.59 g/mol. Its IUPAC name is 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
PubChem CID29038766
Molecular FormulaC13H10BrClN2O2
Molecular Weight341.59 g/mol
Exact Mass339.96
IUPAC Name6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(C(=O)O)n2)ccc1Br
InChIInChI=1S/C13H10BrClN2O2/c1-7-6-8(2-3-9(7)14)16-11-5-4-10(15)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMJTBFVPUIISSDK-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid (CID 29038766) is 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid is Cc1cc(Nc2ccc(Cl)c(C(=O)O)n2)ccc1Br.
What is the InChIKey of 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid?
The InChIKey is MJTBFVPUIISSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2/c1-7-6-8(2-3-9(7)14)16-11-5-4-10(15)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid?
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid has a molecular weight of 341.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 29038766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).