2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile

C9H7F3N2 — CID 130081064

IUPAC2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)cc(F)c1C(F)F
InChIInChI=1S/C9H7F3N2/c1-5-8(9(11)12)7(10)4-6(14-5)2-3-13/h4,9H,2H2,1H3
InChIKeySQZABWQZRLTTAE-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.53
Rot. Bonds2

About 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile

2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile (PubChem CID 130081064) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
PubChem CID130081064
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
SMILESCc1nc(CC#N)cc(F)c1C(F)F
InChIInChI=1S/C9H7F3N2/c1-5-8(9(11)12)7(10)4-6(14-5)2-3-13/h4,9H,2H2,1H3
InChIKeySQZABWQZRLTTAE-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

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Related Compounds

2-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
2-[5-(difluoromethyl)-6-methyl-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029134
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
2-[3-(difluoromethyl)-6-fluoro-4-methyl-2-pyridinyl]acetonitrile
CID 130081079
2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 118822105
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile (CID 130081064) is 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile is Cc1nc(CC#N)cc(F)c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile?
The InChIKey is SQZABWQZRLTTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c1-5-8(9(11)12)7(10)4-6(14-5)2-3-13/h4,9H,2H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-4-fluoro-6-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-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130081064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).