5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

C8H6F3N3 — CID 130076050

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CN)c1F
InChIInChI=1S/C8H6F3N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,2,13H2
InChIKeyYPMLIJOVLNHMSL-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.49
Rot. Bonds2

About 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile

5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (PubChem CID 130076050) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
PubChem CID130076050
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(CN)c1F
InChIInChI=1S/C8H6F3N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,2,13H2
InChIKeyYPMLIJOVLNHMSL-UHFFFAOYSA-N
XLogP1.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.49
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
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
4-(aminomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-amine
CID 130103996
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (CID 130076050) is 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(CN)c1F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The InChIKey is YPMLIJOVLNHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,2,13H2.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130076050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).