2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid

C19H15ClN2O2 — CID 25188115

IUPAC2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(-c3ccccc3Cl)nc2)c(C(=O)O)c1
InChIInChI=1S/C19H15ClN2O2/c1-12-6-8-18(15(10-12)19(23)24)22-13-7-9-17(21-11-13)14-4-2-3-5-16(14)20/h2-11,22H,1H3,(H,23,24)
InChIKeyHJEZZPHSNDZWMM-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.15
Rot. Bonds4

About 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25188115) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25188115
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(-c3ccccc3Cl)nc2)c(C(=O)O)c1
InChIInChI=1S/C19H15ClN2O2/c1-12-6-8-18(15(10-12)19(23)24)22-13-7-9-17(21-11-13)14-4-2-3-5-16(14)20/h2-11,22H,1H3,(H,23,24)
InChIKeyHJEZZPHSNDZWMM-UHFFFAOYSA-N
XLogP5.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25188115) is 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2ccc(-c3ccccc3Cl)nc2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is HJEZZPHSNDZWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-12-6-8-18(15(10-12)19(23)24)22-13-7-9-17(21-11-13)14-4-2-3-5-16(14)20/h2-11,22H,1H3,(H,23,24).
What are the key properties of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 338.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25188115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).