6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile

C8H4ClF2IN2 — CID 118821181

IUPAC6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(I)cc1C(F)F
InChIInChI=1S/C8H4ClF2IN2/c9-2-6-5(12)1-4(8(10)11)7(3-13)14-6/h1,8H,2H2
InChIKeyZROBYNHJKGUYEF-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.23
Rot. Bonds2

About 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile

6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile (PubChem CID 118821181) has the molecular formula C8H4ClF2IN2 and a molecular weight of 328.49 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
PubChem CID118821181
Molecular FormulaC8H4ClF2IN2
Molecular Weight328.49 g/mol
Exact Mass327.91
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(I)cc1C(F)F
InChIInChI=1S/C8H4ClF2IN2/c9-2-6-5(12)1-4(8(10)11)7(3-13)14-6/h1,8H,2H2
InChIKeyZROBYNHJKGUYEF-UHFFFAOYSA-N
XLogP3.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
2-[6-cyano-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077695
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
methyl 6-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133107008
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095941
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile (CID 118821181) is 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile is N#Cc1nc(CCl)c(I)cc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The InChIKey is ZROBYNHJKGUYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2IN2/c9-2-6-5(12)1-4(8(10)11)7(3-13)14-6/h1,8H,2H2.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile has a molecular weight of 328.49 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile is sourced from PubChem (CID 118821181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).