2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile

C9H8F3N3 — CID 118812879

IUPAC2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(F)c1CN
InChIInChI=1S/C9H8F3N3/c10-7-6(3-14)5(1-2-13)4-15-8(7)9(11)12/h4,9H,1,3,14H2
InChIKeyMGSBMXFBQBIURH-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile

2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile (PubChem CID 118812879) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
PubChem CID118812879
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)c(F)c1CN
InChIInChI=1S/C9H8F3N3/c10-7-6(3-14)5(1-2-13)4-15-8(7)9(11)12/h4,9H,1,3,14H2
InChIKeyMGSBMXFBQBIURH-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-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081612
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081776
4-(aminomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-amine
CID 130103996
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile (CID 118812879) is 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile is N#CCc1cnc(C(F)F)c(F)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is MGSBMXFBQBIURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-7-6(3-14)5(1-2-13)4-15-8(7)9(11)12/h4,9H,1,3,14H2.
What are the key properties of 2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-6-(difluoromethyl)-5-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-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118812879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).