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

C10H10F2N2O — CID 133100528

IUPAC2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
SMILESCOc1c(CC#N)ncc(C(F)F)c1C
InChIInChI=1S/C10H10F2N2O/c1-6-7(10(11)12)5-14-8(3-4-13)9(6)15-2/h5,10H,3H2,1-2H3
InChIKeyJBDHLBWNCBHLIA-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.40
Rot. Bonds3

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

2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile (PubChem CID 133100528) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
PubChem CID133100528
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
SMILESCOc1c(CC#N)ncc(C(F)F)c1C
InChIInChI=1S/C10H10F2N2O/c1-6-7(10(11)12)5-14-8(3-4-13)9(6)15-2/h5,10H,3H2,1-2H3
InChIKeyJBDHLBWNCBHLIA-UHFFFAOYSA-N
XLogP2.40
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
2-[2-(aminomethyl)-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 118837045
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
2-[5-bromo-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130069322
2-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]acetonitrile
CID 84781471
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile (CID 133100528) is 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile is COc1c(CC#N)ncc(C(F)F)c1C.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile?
The InChIKey is JBDHLBWNCBHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-6-7(10(11)12)5-14-8(3-4-13)9(6)15-2/h5,10H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile has a molecular weight of 212.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133100528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).