6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid

C12H8BrClN2O2 — CID 43347442

IUPAC6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-3-10(9(14)5-8)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyTZJBYEPNVPEMBZ-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid

6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid (PubChem CID 43347442) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
PubChem CID43347442
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Br)cc2Cl)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-8-2-3-10(9(14)5-8)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyTZJBYEPNVPEMBZ-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
CID 107372315
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 55233325
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
5-[(4-bromo-2-chlorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158172
5-amino-6-(5-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 81439419
N-(5-bromo-2-chlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62908966
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid (CID 43347442) is 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccc(Br)cc2Cl)nc1.
What is the InChIKey of 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid?
The InChIKey is TZJBYEPNVPEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-8-2-3-10(9(14)5-8)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid?
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid has a molecular weight of 327.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43347442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).