2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile

C9H9F2N3 — CID 130098006

IUPAC2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(CN)c1
InChIInChI=1S/C9H9F2N3/c10-9(11)8-7(4-13)3-6(1-2-12)5-14-8/h3,5,9H,1,4,13H2
InChIKeyWNFBAFWFYGAYLD-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.54
Rot. Bonds3

About 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130098006) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130098006
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(CN)c1
InChIInChI=1S/C9H9F2N3/c10-9(11)8-7(4-13)3-6(1-2-12)5-14-8/h3,5,9H,1,4,13H2
InChIKeyWNFBAFWFYGAYLD-UHFFFAOYSA-N
XLogP1.54
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081612
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130098006) is 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(C(F)F)c(CN)c1.
What is the InChIKey of 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is WNFBAFWFYGAYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c10-9(11)8-7(4-13)3-6(1-2-12)5-14-8/h3,5,9H,1,4,13H2.
What are the key properties of 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130098006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).