[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile

C12H5ClN6 — CID 141055745

IUPAC[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile
SMILESN#CC(C#N)(C#N)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C12H5ClN6/c13-9-2-1-4-17-11(9)19-5-3-10(18-19)12(6-14,7-15)8-16/h1-5H
InChIKeyKIPKFUYAJAIZJN-UHFFFAOYSA-N
MW268.67 g/mol
LogP1.73
Rot. Bonds2

About [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile

[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile (PubChem CID 141055745) has the molecular formula C12H5ClN6 and a molecular weight of 268.67 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile.

Molecular Properties

Compound Name[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile
PubChem CID141055745
Molecular FormulaC12H5ClN6
Molecular Weight268.67 g/mol
Exact Mass268.03
IUPAC Name[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile
SMILESN#CC(C#N)(C#N)c1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C12H5ClN6/c13-9-2-1-4-17-11(9)19-5-3-10(18-19)12(6-14,7-15)8-16/h1-5H
InChIKeyKIPKFUYAJAIZJN-UHFFFAOYSA-N
XLogP1.73
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile?
The IUPAC name of [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile (CID 141055745) is [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile.
What is the SMILES notation for [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile?
The canonical SMILES for [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile is N#CC(C#N)(C#N)c1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile?
The InChIKey is KIPKFUYAJAIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClN6/c13-9-2-1-4-17-11(9)19-5-3-10(18-19)12(6-14,7-15)8-16/h1-5H.
What are the key properties of [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile?
[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile has a molecular weight of 268.67 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methanetricarbonitrile is sourced from PubChem (CID 141055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).