2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile

C9H8F3N3 — CID 130081612

IUPAC2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)ncc(CN)c1F
InChIInChI=1S/C9H8F3N3/c10-7-5(3-14)4-15-8(9(11)12)6(7)1-2-13/h4,9H,1,3,14H2
InChIKeyKMZLHDDVOWDPBF-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.68
Rot. Bonds3

About 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile

2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile (PubChem CID 130081612) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
PubChem CID130081612
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)ncc(CN)c1F
InChIInChI=1S/C9H8F3N3/c10-7-5(3-14)4-15-8(9(11)12)6(7)1-2-13/h4,9H,1,3,14H2
InChIKeyKMZLHDDVOWDPBF-UHFFFAOYSA-N
XLogP1.68
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
2-[5-bromo-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130068353
2-[4-bromo-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070567
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
5-(cyanomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 165344407
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile (CID 130081612) is 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile is N#CCc1c(C(F)F)ncc(CN)c1F.
What is the InChIKey of 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is KMZLHDDVOWDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-7-5(3-14)4-15-8(9(11)12)6(7)1-2-13/h4,9H,1,3,14H2.
What are the key properties of 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile has a molecular weight of 215.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130081612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).