2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile

C9H5ClN4 — CID 173165260

IUPAC2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cn[nH]c1Cl
InChIInChI=1S/C9H5ClN4/c10-9-7(5-13-14-9)8-6(4-11)2-1-3-12-8/h1-3,5H,(H,13,14)
InChIKeyXIMOJGQJAGHXRB-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.00
Rot. Bonds1

About 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile

2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 173165260) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID173165260
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cn[nH]c1Cl
InChIInChI=1S/C9H5ClN4/c10-9-7(5-13-14-9)8-6(4-11)2-1-3-12-8/h1-3,5H,(H,13,14)
InChIKeyXIMOJGQJAGHXRB-UHFFFAOYSA-N
XLogP2.00
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile (CID 173165260) is 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1cn[nH]c1Cl.
What is the InChIKey of 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is XIMOJGQJAGHXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-9-7(5-13-14-9)8-6(4-11)2-1-3-12-8/h1-3,5H,(H,13,14).
What are the key properties of 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile?
2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 173165260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).