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

C9H7F3N2 — CID 130081079

IUPAC2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(F)nc(CC#N)c1C(F)F
InChIInChI=1S/C9H7F3N2/c1-5-4-7(10)14-6(2-3-13)8(5)9(11)12/h4,9H,2H2,1H3
InChIKeyAXYPSBLEBJCUQS-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.53
Rot. Bonds2

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

2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile (PubChem CID 130081079) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
PubChem CID130081079
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(F)nc(CC#N)c1C(F)F
InChIInChI=1S/C9H7F3N2/c1-5-4-7(10)14-6(2-3-13)8(5)9(11)12/h4,9H,2H2,1H3
InChIKeyAXYPSBLEBJCUQS-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-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
2-[6-(bromomethyl)-4-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075144
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile (CID 130081079) is 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile is Cc1cc(F)nc(CC#N)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile?
The InChIKey is AXYPSBLEBJCUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-5-4-7(10)14-6(2-3-13)8(5)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile?
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-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)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130081079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).