4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid

C14H12BrClN2O2 — CID 104724456

IUPAC4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(Cl)c(C)cc2Br)c(C(=O)O)cn1
InChIInChI=1S/C14H12BrClN2O2/c1-7-3-10(15)13(5-11(7)16)18-12-4-8(2)17-6-9(12)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIDIVXSAUMOVOC-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.56
Rot. Bonds3

About 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid

4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 104724456) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID104724456
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(Cl)c(C)cc2Br)c(C(=O)O)cn1
InChIInChI=1S/C14H12BrClN2O2/c1-7-3-10(15)13(5-11(7)16)18-12-4-8(2)17-6-9(12)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFIDIVXSAUMOVOC-UHFFFAOYSA-N
XLogP4.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzoic acid
CID 104724463
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
2-amino-3-(2-bromo-5-chloro-4-methylanilino)benzoic acid
CID 104725056
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid (CID 104724456) is 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2cc(Cl)c(C)cc2Br)c(C(=O)O)cn1.
What is the InChIKey of 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is FIDIVXSAUMOVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-7-3-10(15)13(5-11(7)16)18-12-4-8(2)17-6-9(12)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid?
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 355.62 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 104724456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).