4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

C7H2ClF2IN2 — CID 118805015

IUPAC4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(Cl)cc(C(F)F)nc1I
InChIInChI=1S/C7H2ClF2IN2/c8-4-1-5(6(9)10)13-7(11)3(4)2-12/h1,6H
InChIKeyKGPPPJUNEMMUHQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.15
Rot. Bonds1

About 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (PubChem CID 118805015) has the molecular formula C7H2ClF2IN2 and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
PubChem CID118805015
Molecular FormulaC7H2ClF2IN2
Molecular Weight314.46 g/mol
Exact Mass313.89
IUPAC Name4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1c(Cl)cc(C(F)F)nc1I
InChIInChI=1S/C7H2ClF2IN2/c8-4-1-5(6(9)10)13-7(11)3(4)2-12/h1,6H
InChIKeyKGPPPJUNEMMUHQ-UHFFFAOYSA-N
XLogP3.15
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (CID 118805015) is 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is N#Cc1c(Cl)cc(C(F)F)nc1I.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The InChIKey is KGPPPJUNEMMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2/c8-4-1-5(6(9)10)13-7(11)3(4)2-12/h1,6H.
What are the key properties of 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile has a molecular weight of 314.46 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is sourced from PubChem (CID 118805015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).