3,5-dichloropyridine-4-carbonitrile

C6H2Cl2N2 — CID 11137599

IUPAC3,5-dichloropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKeyMUHBRCUFWMUBNP-UHFFFAOYSA-N
MW173.00 g/mol
LogP2.26
Rot. Bonds

About 3,5-dichloropyridine-4-carbonitrile

3,5-dichloropyridine-4-carbonitrile (PubChem CID 11137599) has the molecular formula C6H2Cl2N2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 3,5-dichloropyridine-4-carbonitrile.

Molecular Properties

Compound Name3,5-dichloropyridine-4-carbonitrile
PubChem CID11137599
Molecular FormulaC6H2Cl2N2
Molecular Weight173.00 g/mol
Exact Mass171.96
IUPAC Name3,5-dichloropyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKeyMUHBRCUFWMUBNP-UHFFFAOYSA-N
XLogP2.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.00
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropyridine-4-carbonitrile?
The IUPAC name of 3,5-dichloropyridine-4-carbonitrile (CID 11137599) is 3,5-dichloropyridine-4-carbonitrile.
What is the SMILES notation for 3,5-dichloropyridine-4-carbonitrile?
The canonical SMILES for 3,5-dichloropyridine-4-carbonitrile is N#Cc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloropyridine-4-carbonitrile?
The InChIKey is MUHBRCUFWMUBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H.
What are the key properties of 3,5-dichloropyridine-4-carbonitrile?
3,5-dichloropyridine-4-carbonitrile has a molecular weight of 173.00 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine-4-carbonitrile is sourced from PubChem (CID 11137599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).