6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride

C18H20ClNO2 — CID 70408017

IUPAC6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(C2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C18H19NO2.ClH/c20-18(21)15-11-12-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14;/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21);1H
InChIKeyKQALADCYUHGQHC-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.92
Rot. Bonds3

About 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride

6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 70408017) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride
PubChem CID70408017
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(C2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C18H19NO2.ClH/c20-18(21)15-11-12-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14;/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21);1H
InChIKeyKQALADCYUHGQHC-UHFFFAOYSA-N
XLogP4.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride (CID 70408017) is 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc(C2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is KQALADCYUHGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c20-18(21)15-11-12-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14;/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21);1H.
What are the key properties of 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride?
6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-phenylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70408017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).