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

C7H2ClF2IN2 — CID 130070992

IUPAC5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(Cl)c(I)n1
InChIInChI=1S/C7H2ClF2IN2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H
InChIKeyNUSNMFJGNRDQSZ-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.15
Rot. Bonds1

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

5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile (PubChem CID 130070992) has the molecular formula C7H2ClF2IN2 and a molecular weight of 314.46 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
PubChem CID130070992
Molecular FormulaC7H2ClF2IN2
Molecular Weight314.46 g/mol
Exact Mass313.89
IUPAC Name5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c(Cl)c(I)n1
InChIInChI=1S/C7H2ClF2IN2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H
InChIKeyNUSNMFJGNRDQSZ-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

5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130095798
6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carbonitrile
CID 130075987
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The IUPAC name of 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile (CID 130070992) is 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile is N#Cc1cc(C(F)F)c(Cl)c(I)n1.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The InChIKey is NUSNMFJGNRDQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2/c8-5-4(6(9)10)1-3(2-12)13-7(5)11/h1,6H.
What are the key properties of 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
5-chloro-4-(difluoromethyl)-6-iodopyridine-2-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 5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130070992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).