2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile

C9H7F2IN2 — CID 118823699

IUPAC2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1c(C(F)F)cc(I)nc1CC#N
InChIInChI=1S/C9H7F2IN2/c1-5-6(9(10)11)4-8(12)14-7(5)2-3-13/h4,9H,2H2,1H3
InChIKeyDTIXMTSGIFKPMK-UHFFFAOYSA-N
MW308.07 g/mol
LogP3.00
Rot. Bonds2

About 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile (PubChem CID 118823699) has the molecular formula C9H7F2IN2 and a molecular weight of 308.07 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
PubChem CID118823699
Molecular FormulaC9H7F2IN2
Molecular Weight308.07 g/mol
Exact Mass307.96
IUPAC Name2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1c(C(F)F)cc(I)nc1CC#N
InChIInChI=1S/C9H7F2IN2/c1-5-6(9(10)11)4-8(12)14-7(5)2-3-13/h4,9H,2H2,1H3
InChIKeyDTIXMTSGIFKPMK-UHFFFAOYSA-N
XLogP3.00
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 53.00
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

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile (CID 118823699) is 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile is Cc1c(C(F)F)cc(I)nc1CC#N.
What is the InChIKey of 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile?
The InChIKey is DTIXMTSGIFKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2IN2/c1-5-6(9(10)11)4-8(12)14-7(5)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile has a molecular weight of 308.07 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118823699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).