2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid

C14H13BrN2O2 — CID 107575443

IUPAC2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncccc2C(=O)O)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)12(8)15)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFQDIPFMHTYSCRO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid

2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid (PubChem CID 107575443) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
PubChem CID107575443
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncccc2C(=O)O)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)12(8)15)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFQDIPFMHTYSCRO-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-(4-acetylanilino)pyridine-3-carboxylic acid
CID 14222049
4-(4-bromo-3,5-dimethylanilino)-2-methylbenzoic acid
CID 107575463
2-[(4-methyl-2-oxo-1H-quinolin-6-yl)amino]pyridine-3-carboxylic acid
CID 166442642
2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
CID 63537003
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131
2-[(2,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 71016995
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-methyl-4-[(3-methylpyrazin-2-yl)amino]benzoic acid
CID 83065152

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid (CID 107575443) is 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid is Cc1cc(Nc2ncccc2C(=O)O)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is FQDIPFMHTYSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-6-10(7-9(2)12(8)15)17-13-11(14(18)19)4-3-5-16-13/h3-7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid?
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107575443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).