4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile

C8H3ClF2N2O — CID 118816705

IUPAC4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H3ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H
InChIKeyHJXIBRHCTLKZNP-UHFFFAOYSA-N
MW216.57 g/mol
LogP2.36
Rot. Bonds2

About 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile

4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile (PubChem CID 118816705) has the molecular formula C8H3ClF2N2O and a molecular weight of 216.57 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
PubChem CID118816705
Molecular FormulaC8H3ClF2N2O
Molecular Weight216.57 g/mol
Exact Mass215.99
IUPAC Name4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)c(C=O)c(C(F)F)n1
InChIInChI=1S/C8H3ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H
InChIKeyHJXIBRHCTLKZNP-UHFFFAOYSA-N
XLogP2.36
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.57
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The IUPAC name of 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile (CID 118816705) is 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile is N#Cc1cc(Cl)c(C=O)c(C(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The InChIKey is HJXIBRHCTLKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2O/c9-6-1-4(2-12)13-7(8(10)11)5(6)3-14/h1,3,8H.
What are the key properties of 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile has a molecular weight of 216.57 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile is sourced from PubChem (CID 118816705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).