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

C10H7F5N2 — CID 118801473

IUPAC2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESCc1cnc(C(F)(F)F)c(CC#N)c1C(F)F
InChIInChI=1S/C10H7F5N2/c1-5-4-17-8(10(13,14)15)6(2-3-16)7(5)9(11)12/h4,9H,2H2,1H3
InChIKeyAZFHPDYSUHOVLY-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.41
Rot. Bonds2

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

2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 118801473) has the molecular formula C10H7F5N2 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID118801473
Molecular FormulaC10H7F5N2
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESCc1cnc(C(F)(F)F)c(CC#N)c1C(F)F
InChIInChI=1S/C10H7F5N2/c1-5-4-17-8(10(13,14)15)6(2-3-16)7(5)9(11)12/h4,9H,2H2,1H3
InChIKeyAZFHPDYSUHOVLY-UHFFFAOYSA-N
XLogP3.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
2-[3-(difluoromethyl)-2-fluoro-5-methyl-4-pyridinyl]acetonitrile
CID 130081059
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
CID 118801264
2-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133100436
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584
3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 118801473) is 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is Cc1cnc(C(F)(F)F)c(CC#N)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is AZFHPDYSUHOVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2/c1-5-4-17-8(10(13,14)15)6(2-3-16)7(5)9(11)12/h4,9H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 250.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118801473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).