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

C9H9F2N3 — CID 118834747

IUPAC2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1c(N)cc(C(F)F)nc1CC#N
InChIInChI=1S/C9H9F2N3/c1-5-6(13)4-8(9(10)11)14-7(5)2-3-12/h4,9H,2H2,1H3,(H2,13,14)
InChIKeyUBXADYFDMJIUGG-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.98
Rot. Bonds2

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

2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile (PubChem CID 118834747) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
PubChem CID118834747
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
SMILESCc1c(N)cc(C(F)F)nc1CC#N
InChIInChI=1S/C9H9F2N3/c1-5-6(13)4-8(9(10)11)14-7(5)2-3-12/h4,9H,2H2,1H3,(H2,13,14)
InChIKeyUBXADYFDMJIUGG-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-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 118991220
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[4-(difluoromethyl)-6-iodo-3-methyl-2-pyridinyl]acetonitrile
CID 118823699
2-[2-(aminomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 118825820
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile (CID 118834747) is 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile is Cc1c(N)cc(C(F)F)nc1CC#N.
What is the InChIKey of 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
The InChIKey is UBXADYFDMJIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-6(13)4-8(9(10)11)14-7(5)2-3-12/h4,9H,2H2,1H3,(H2,13,14).
What are the key properties of 2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile?
2-[4-amino-6-(difluoromethyl)-3-methyl-2-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-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118834747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).