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

C8H4ClF2IN2 — CID 130077370

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)nc(CCl)c1I
InChIInChI=1S/C8H4ClF2IN2/c9-2-6-7(12)4(3-13)1-5(14-6)8(10)11/h1,8H,2H2
InChIKeyOWXXGZUUECKAQQ-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.23
Rot. Bonds2

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

2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile (PubChem CID 130077370) has the molecular formula C8H4ClF2IN2 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
PubChem CID130077370
Molecular FormulaC8H4ClF2IN2
Molecular Weight328.49 g/mol
Exact Mass327.91
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)nc(CCl)c1I
InChIInChI=1S/C8H4ClF2IN2/c9-2-6-7(12)4(3-13)1-5(14-6)8(10)11/h1,8H,2H2
InChIKeyOWXXGZUUECKAQQ-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

4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
CID 130076141
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-[3-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133105860
3-bromo-2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carbonitrile
CID 130108801
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254
2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070560
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118831350
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile (CID 130077370) is 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile is N#Cc1cc(C(F)F)nc(CCl)c1I.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile?
The InChIKey is OWXXGZUUECKAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2IN2/c9-2-6-7(12)4(3-13)1-5(14-6)8(10)11/h1,8H,2H2.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile?
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-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 2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile is sourced from PubChem (CID 130077370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).