2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile

C9H7F3N2 — CID 130081059

IUPAC2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
SMILESCc1cnc(F)c(C(F)F)c1CC#N
InChIInChI=1S/C9H7F3N2/c1-5-4-14-9(12)7(8(10)11)6(5)2-3-13/h4,8H,2H2,1H3
InChIKeyPWFQWITYACCYHY-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.53
Rot. Bonds2

About 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile

2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile (PubChem CID 130081059) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
PubChem CID130081059
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
SMILESCc1cnc(F)c(C(F)F)c1CC#N
InChIInChI=1S/C9H7F3N2/c1-5-4-14-9(12)7(8(10)11)6(5)2-3-13/h4,8H,2H2,1H3
InChIKeyPWFQWITYACCYHY-UHFFFAOYSA-N
XLogP2.53
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
CID 130099807
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
CID 130081038
4-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 134675025
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[4-(difluoromethyl)-2-fluoro-5-nitro-3-pyridinyl]acetonitrile
CID 118829553
2-[5-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133103967
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
2-[3-(difluoromethyl)-5-fluoro-2-nitro-4-pyridinyl]acetonitrile
CID 133105093
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile (CID 130081059) is 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile is Cc1cnc(F)c(C(F)F)c1CC#N.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile?
The InChIKey is PWFQWITYACCYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-5-4-14-9(12)7(8(10)11)6(5)2-3-13/h4,8H,2H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile has a molecular weight of 200.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130081059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).