2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile

C8H5F2IN2 — CID 130077203

IUPAC2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
SMILESCc1c(I)cnc(C(F)F)c1C#N
InChIInChI=1S/C8H5F2IN2/c1-4-5(2-12)7(8(9)10)13-3-6(4)11/h3,8H,1H3
InChIKeyMHRGHKPNMYJAOT-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.80
Rot. Bonds1

About 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile

2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile (PubChem CID 130077203) has the molecular formula C8H5F2IN2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
PubChem CID130077203
Molecular FormulaC8H5F2IN2
Molecular Weight294.04 g/mol
Exact Mass293.95
IUPAC Name2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
SMILESCc1c(I)cnc(C(F)F)c1C#N
InChIInChI=1S/C8H5F2IN2/c1-4-5(2-12)7(8(9)10)13-3-6(4)11/h3,8H,1H3
InChIKeyMHRGHKPNMYJAOT-UHFFFAOYSA-N
XLogP2.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbonitrile
CID 130075915
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
2-(difluoromethyl)-4-formyl-5-methylpyridine-3-carbonitrile
CID 130078361
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
methyl 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130077654
5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carbonyl chloride
CID 134685688
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-sulfonyl chloride
CID 118843440

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile (CID 130077203) is 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile is Cc1c(I)cnc(C(F)F)c1C#N.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile?
The InChIKey is MHRGHKPNMYJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2/c1-4-5(2-12)7(8(9)10)13-3-6(4)11/h3,8H,1H3.
What are the key properties of 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile?
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile has a molecular weight of 294.04 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130077203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).