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

C14H14ClN3O2 — CID 115378021

IUPAC5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-4-10(7-11)17-13-12(15)6-9(8-16-13)14(19)20/h3-8H,1-2H3,(H,16,17)(H,19,20)
InChIKeyQHJXHXMNAASICT-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.24
Rot. Bonds4

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

5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid (PubChem CID 115378021) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
PubChem CID115378021
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2ncc(C(=O)O)cc2Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-4-10(7-11)17-13-12(15)6-9(8-16-13)14(19)20/h3-8H,1-2H3,(H,16,17)(H,19,20)
InChIKeyQHJXHXMNAASICT-UHFFFAOYSA-N
XLogP3.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
3-[3-(dimethylamino)anilino]-4-methylbenzoic acid
CID 82535979
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid (CID 115378021) is 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid is CN(C)c1cccc(Nc2ncc(C(=O)O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid?
The InChIKey is QHJXHXMNAASICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(2)11-5-3-4-10(7-11)17-13-12(15)6-9(8-16-13)14(19)20/h3-8H,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid?
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 3.24, 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)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115378021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).