4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid

C17H17ClN2O3 — CID 175549625

IUPAC4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid
SMILESCOc1c(C2CCCC2)ncc(C(=O)O)c1-c1ccnc(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-16-14(11-6-7-19-13(18)8-11)12(17(21)22)9-20-15(16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyUAISYKOKJLCMGR-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.16
Rot. Bonds4

About 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid

4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid (PubChem CID 175549625) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid
PubChem CID175549625
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid
SMILESCOc1c(C2CCCC2)ncc(C(=O)O)c1-c1ccnc(Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-23-16-14(11-6-7-19-13(18)8-11)12(17(21)22)9-20-15(16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyUAISYKOKJLCMGR-UHFFFAOYSA-N
XLogP4.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid (CID 175549625) is 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid is COc1c(C2CCCC2)ncc(C(=O)O)c1-c1ccnc(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid?
The InChIKey is UAISYKOKJLCMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-16-14(11-6-7-19-13(18)8-11)12(17(21)22)9-20-15(16)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,21,22).
What are the key properties of 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid?
4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-6-cyclopentyl-5-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 175549625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).