5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid

C15H16ClN3O2 — CID 115378070

IUPAC5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncc(C(=O)O)cc2Cl)cc1N(C)C
InChIInChI=1S/C15H16ClN3O2/c1-9-4-5-11(7-13(9)19(2)3)18-14-12(16)6-10(8-17-14)15(20)21/h4-8H,1-3H3,(H,17,18)(H,20,21)
InChIKeyXVOYNKLGYYMHRQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid

5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid (PubChem CID 115378070) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
PubChem CID115378070
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncc(C(=O)O)cc2Cl)cc1N(C)C
InChIInChI=1S/C15H16ClN3O2/c1-9-4-5-11(7-13(9)19(2)3)18-14-12(16)6-10(8-17-14)15(20)21/h4-8H,1-3H3,(H,17,18)(H,20,21)
InChIKeyXVOYNKLGYYMHRQ-UHFFFAOYSA-N
XLogP3.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
CID 133294137
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
2-[3-(dimethylamino)-4-methylanilino]-4-methylbenzoic acid
CID 115378090

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid (CID 115378070) is 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid is Cc1ccc(Nc2ncc(C(=O)O)cc2Cl)cc1N(C)C.
What is the InChIKey of 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid?
The InChIKey is XVOYNKLGYYMHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-4-5-11(7-13(9)19(2)3)18-14-12(16)6-10(8-17-14)15(20)21/h4-8H,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid?
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid has a molecular weight of 305.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115378070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).