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

C21H17ClN2O2 — CID 56968469

IUPAC2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1
InChIInChI=1S/C21H17ClN2O2/c22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)
InChIKeyLWIQBBKLFCFUTO-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.72
Rot. Bonds5

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

2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid (PubChem CID 56968469) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid
PubChem CID56968469
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1
InChIInChI=1S/C21H17ClN2O2/c22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)
InChIKeyLWIQBBKLFCFUTO-UHFFFAOYSA-N
XLogP5.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.72
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-cyclopropylbenzoic acid?
The IUPAC name of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid (CID 56968469) is 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid.
What is the SMILES notation for 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid?
The canonical SMILES for 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1.
What is the InChIKey of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid?
The InChIKey is LWIQBBKLFCFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26).
What are the key properties of 2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid?
2-[[6-(2-chlorophenyl)-3-pyridinyl]amino]-5-cyclopropylbenzoic acid has a molecular weight of 364.83 g/mol, XLogP of 5.72, 5 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-cyclopropylbenzoic acid is sourced from PubChem (CID 56968469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).