2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile

C10H10F2N2O2 — CID 134672413

IUPAC2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)cnc(CC#N)c1OC
InChIInChI=1S/C10H10F2N2O2/c1-15-8-6(10(11)12)5-14-7(3-4-13)9(8)16-2/h5,10H,3H2,1-2H3
InChIKeyIEVDDGHRHIWIAM-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.10
Rot. Bonds4

About 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile

2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile (PubChem CID 134672413) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
PubChem CID134672413
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)cnc(CC#N)c1OC
InChIInChI=1S/C10H10F2N2O2/c1-15-8-6(10(11)12)5-14-7(3-4-13)9(8)16-2/h5,10H,3H2,1-2H3
InChIKeyIEVDDGHRHIWIAM-UHFFFAOYSA-N
XLogP2.10
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528
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
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-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951
5-(difluoromethyl)-4-methoxy-3-methylpyridine-2-carbonitrile
CID 119010367
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile (CID 134672413) is 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile is COc1c(C(F)F)cnc(CC#N)c1OC.
What is the InChIKey of 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile?
The InChIKey is IEVDDGHRHIWIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c1-15-8-6(10(11)12)5-14-7(3-4-13)9(8)16-2/h5,10H,3H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile has a molecular weight of 228.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134672413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).