5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid

C22H18ClNO3 — CID 162731748

IUPAC5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1OCc1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-17-8-4-7-16(11-17)18-12-24-20(22(25)26)21(19(18)15-9-10-15)27-13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H,25,26)
InChIKeyKQSYOALNNDGOHP-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.56
Rot. Bonds6

About 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid

5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 162731748) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid
PubChem CID162731748
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1OCc1ccccc1
InChIInChI=1S/C22H18ClNO3/c23-17-8-4-7-16(11-17)18-12-24-20(22(25)26)21(19(18)15-9-10-15)27-13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H,25,26)
InChIKeyKQSYOALNNDGOHP-UHFFFAOYSA-N
XLogP5.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid (CID 162731748) is 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid is O=C(O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1OCc1ccccc1.
What is the InChIKey of 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is KQSYOALNNDGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-17-8-4-7-16(11-17)18-12-24-20(22(25)26)21(19(18)15-9-10-15)27-13-14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H,25,26).
What are the key properties of 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid?
5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 379.84 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-cyclopropyl-3-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 162731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).