4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid

C14H13ClN2O2 — CID 63081656

IUPAC4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
SMILESCc1cccc(CNc2cc(Cl)ccc2C(=O)O)n1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-4-11(17-9)8-16-13-7-10(15)5-6-12(13)14(18)19/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyIDTYOBGXRJWMIY-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid

4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid (PubChem CID 63081656) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
PubChem CID63081656
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
SMILESCc1cccc(CNc2cc(Cl)ccc2C(=O)O)n1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-4-11(17-9)8-16-13-7-10(15)5-6-12(13)14(18)19/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyIDTYOBGXRJWMIY-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
2,3-difluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 79838578
5-chloro-2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114919543
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
4-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzoic acid
CID 55181754
4-chloro-2-[(4-ethylphenyl)methylamino]benzoic acid
CID 106900803
4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
6-[(5-chloro-2-cyanoanilino)methyl]pyridine-2-carboxylic acid
CID 106904725
4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
CID 55107787
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid (CID 63081656) is 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid is Cc1cccc(CNc2cc(Cl)ccc2C(=O)O)n1.
What is the InChIKey of 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
The InChIKey is IDTYOBGXRJWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-3-2-4-11(17-9)8-16-13-7-10(15)5-6-12(13)14(18)19/h2-7,16H,8H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid?
4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid is sourced from PubChem (CID 63081656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).