2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile

C9H9F2N3 — CID 118991220

IUPAC2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
SMILESCc1c(CC#N)cc(C(F)F)nc1N
InChIInChI=1S/C9H9F2N3/c1-5-6(2-3-12)4-7(8(10)11)14-9(5)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyZGMKJGRGNJUESC-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.98
Rot. Bonds2

About 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile

2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile (PubChem CID 118991220) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
PubChem CID118991220
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
SMILESCc1c(CC#N)cc(C(F)F)nc1N
InChIInChI=1S/C9H9F2N3/c1-5-6(2-3-12)4-7(8(10)11)14-9(5)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyZGMKJGRGNJUESC-UHFFFAOYSA-N
XLogP1.98
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-amino-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130103307
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
6-(difluoromethyl)-4-methoxy-3-methylpyridin-2-amine
CID 119005305

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile (CID 118991220) is 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile is Cc1c(CC#N)cc(C(F)F)nc1N.
What is the InChIKey of 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
The InChIKey is ZGMKJGRGNJUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-6(2-3-12)4-7(8(10)11)14-9(5)13/h4,8H,2H2,1H3,(H2,13,14).
What are the key properties of 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile?
2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118991220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).