4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid

C14H13ClN2O2 — CID 81233545

IUPAC4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-13(11(8-16-9)14(18)19)17-7-10-4-2-3-5-12(10)15/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyODVCAZAMQOCQAE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.35
Rot. Bonds4

About 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid

4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81233545) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81233545
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(NCc2ccccc2Cl)c(C(=O)O)cn1
InChIInChI=1S/C14H13ClN2O2/c1-9-6-13(11(8-16-9)14(18)19)17-7-10-4-2-3-5-12(10)15/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyODVCAZAMQOCQAE-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

N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
6-methyl-4-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244511
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
4-(benzylamino)-6-methylpyridine-3-carboxylic acid;methyl 4-amino-6-methylpyridine-3-carboxylate
CID 159705199
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[(3-nitrophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244731
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid (CID 81233545) is 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid is Cc1cc(NCc2ccccc2Cl)c(C(=O)O)cn1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is ODVCAZAMQOCQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-6-13(11(8-16-9)14(18)19)17-7-10-4-2-3-5-12(10)15/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid?
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic 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-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).