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

C7H2ClF2IN2 — CID 130070976

IUPAC3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(I)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF2IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H
InChIKeyIGANATMFXZNPSU-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.15
Rot. Bonds1

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

3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile (PubChem CID 130070976) has the molecular formula C7H2ClF2IN2 and a molecular weight of 314.46 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
PubChem CID130070976
Molecular FormulaC7H2ClF2IN2
Molecular Weight314.46 g/mol
Exact Mass313.89
IUPAC Name3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(I)nc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF2IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H
InChIKeyIGANATMFXZNPSU-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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Related Compounds

3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-sulfonamide
CID 130073590
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 130077346
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile (CID 130070976) is 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile is N#Cc1cc(I)nc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile?
The InChIKey is IGANATMFXZNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2/c8-5-3(2-12)1-4(11)13-6(5)7(9)10/h1,7H.
What are the key properties of 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile?
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-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 3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile is sourced from PubChem (CID 130070976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).