2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

C10H8F4N2O — CID 133095123

IUPAC2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)nc(OC(F)(F)F)c1CF
InChIInChI=1S/C10H8F4N2O/c1-6-4-7(2-3-15)16-9(8(6)5-11)17-10(12,13)14/h4H,2,5H2,1H3
InChIKeyKKLRBKFOFYCXPE-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.82
Rot. Bonds3

About 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile

2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 133095123) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID133095123
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)nc(OC(F)(F)F)c1CF
InChIInChI=1S/C10H8F4N2O/c1-6-4-7(2-3-15)16-9(8(6)5-11)17-10(12,13)14/h4H,2,5H2,1H3
InChIKeyKKLRBKFOFYCXPE-UHFFFAOYSA-N
XLogP2.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666816
2-[6-(aminomethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134672895
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
2-[6-(bromomethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681509
2-[5-(chloromethyl)-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094633
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499

Frequently Asked Questions

What is the IUPAC name of 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 133095123) is 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is Cc1cc(CC#N)nc(OC(F)(F)F)c1CF.
What is the InChIKey of 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is KKLRBKFOFYCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c1-6-4-7(2-3-15)16-9(8(6)5-11)17-10(12,13)14/h4H,2,5H2,1H3.
What are the key properties of 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 248.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(fluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133095123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).