5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid

C15H15ClN2O2 — CID 12640233

IUPAC5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-14(7-6-13(17-10)15(19)20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWJFRWNIRMFAFJP-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.38
Rot. Bonds4

About 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid

5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid (PubChem CID 12640233) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid
PubChem CID12640233
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)ccc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-10-14(7-6-13(17-10)15(19)20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWJFRWNIRMFAFJP-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid (CID 12640233) is 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)ccc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid?
The InChIKey is WJFRWNIRMFAFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-14(7-6-13(17-10)15(19)20)18(2)9-11-4-3-5-12(16)8-11/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid?
5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl-methylamino]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 12640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).