2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid

C15H15BrN2O3 — CID 82860701

IUPAC2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C15H15BrN2O3/c1-8-4-9(2)17-14(13(8)15(19)20)18-11-5-10(16)6-12(7-11)21-3/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeySRTDVRNEAKGKBB-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 82860701) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID82860701
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCOc1cc(Br)cc(Nc2nc(C)cc(C)c2C(=O)O)c1
InChIInChI=1S/C15H15BrN2O3/c1-8-4-9(2)17-14(13(8)15(19)20)18-11-5-10(16)6-12(7-11)21-3/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeySRTDVRNEAKGKBB-UHFFFAOYSA-N
XLogP3.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
2-N-(3-bromo-5-methoxyphenyl)-3-methylpyridine-2,5-diamine
CID 82857328
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
3-(3-bromo-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbothioamide
CID 82858843
2-(4-bromo-2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 82695182
4,6-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 60678598
4-(3-bromo-5-methoxyanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 82860476
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 82860701) is 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid is COc1cc(Br)cc(Nc2nc(C)cc(C)c2C(=O)O)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is SRTDVRNEAKGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-8-4-9(2)17-14(13(8)15(19)20)18-11-5-10(16)6-12(7-11)21-3/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 82860701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).