3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile

C11H8Cl2N4 — CID 107058682

IUPAC3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESCc1nn(-c2nccc(C#N)c2Cl)c(C)c1Cl
InChIInChI=1S/C11H8Cl2N4/c1-6-9(12)7(2)17(16-6)11-10(13)8(5-14)3-4-15-11/h3-4H,1-2H3
InChIKeyRXWYFUYWWGVLLR-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.06
Rot. Bonds1

About 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile

3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile (PubChem CID 107058682) has the molecular formula C11H8Cl2N4 and a molecular weight of 267.12 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile
PubChem CID107058682
Molecular FormulaC11H8Cl2N4
Molecular Weight267.12 g/mol
Exact Mass266.01
IUPAC Name3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESCc1nn(-c2nccc(C#N)c2Cl)c(C)c1Cl
InChIInChI=1S/C11H8Cl2N4/c1-6-9(12)7(2)17(16-6)11-10(13)8(5-14)3-4-15-11/h3-4H,1-2H3
InChIKeyRXWYFUYWWGVLLR-UHFFFAOYSA-N
XLogP3.06
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile (CID 107058682) is 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile is Cc1nn(-c2nccc(C#N)c2Cl)c(C)c1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile?
The InChIKey is RXWYFUYWWGVLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4/c1-6-9(12)7(2)17(16-6)11-10(13)8(5-14)3-4-15-11/h3-4H,1-2H3.
What are the key properties of 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile has a molecular weight of 267.12 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107058682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).