6-chloro-2-(1H-pyrazol-4-yl)quinoline

C12H8ClN3 — CID 164550174

IUPAC6-chloro-2-(1H-pyrazol-4-yl)quinoline
SMILESClc1ccc2nc(-c3cn[nH]c3)ccc2c1
InChIInChI=1S/C12H8ClN3/c13-10-2-4-11-8(5-10)1-3-12(16-11)9-6-14-15-7-9/h1-7H,(H,14,15)
InChIKeyLJNIWLXBQDWDHD-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

About 6-chloro-2-(1H-pyrazol-4-yl)quinoline

6-chloro-2-(1H-pyrazol-4-yl)quinoline (PubChem CID 164550174) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-2-(1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-(1H-pyrazol-4-yl)quinoline
PubChem CID164550174
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name6-chloro-2-(1H-pyrazol-4-yl)quinoline
SMILESClc1ccc2nc(-c3cn[nH]c3)ccc2c1
InChIInChI=1S/C12H8ClN3/c13-10-2-4-11-8(5-10)1-3-12(16-11)9-6-14-15-7-9/h1-7H,(H,14,15)
InChIKeyLJNIWLXBQDWDHD-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1H-pyrazol-4-yl)quinoline?
The IUPAC name of 6-chloro-2-(1H-pyrazol-4-yl)quinoline (CID 164550174) is 6-chloro-2-(1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 6-chloro-2-(1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 6-chloro-2-(1H-pyrazol-4-yl)quinoline is Clc1ccc2nc(-c3cn[nH]c3)ccc2c1.
What is the InChIKey of 6-chloro-2-(1H-pyrazol-4-yl)quinoline?
The InChIKey is LJNIWLXBQDWDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-10-2-4-11-8(5-10)1-3-12(16-11)9-6-14-15-7-9/h1-7H,(H,14,15).
What are the key properties of 6-chloro-2-(1H-pyrazol-4-yl)quinoline?
6-chloro-2-(1H-pyrazol-4-yl)quinoline has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 164550174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).