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

C9H8F2N2 — CID 130097680

IUPAC2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)ncc1C(F)F
InChIInChI=1S/C9H8F2N2/c1-6-4-7(2-3-12)13-5-8(6)9(10)11/h4-5,9H,2H2,1H3
InChIKeyUNOWPHUWWVOXOQ-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.39
Rot. Bonds2

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

2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile (PubChem CID 130097680) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
PubChem CID130097680
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)ncc1C(F)F
InChIInChI=1S/C9H8F2N2/c1-6-4-7(2-3-12)13-5-8(6)9(10)11/h4-5,9H,2H2,1H3
InChIKeyUNOWPHUWWVOXOQ-UHFFFAOYSA-N
XLogP2.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile (CID 130097680) is 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile is Cc1cc(CC#N)ncc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The InChIKey is UNOWPHUWWVOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-6-4-7(2-3-12)13-5-8(6)9(10)11/h4-5,9H,2H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile has a molecular weight of 182.17 g/mol, XLogP of 2.39, 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-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).