6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile

C8H6F3N3 — CID 118831507

IUPAC6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CN)c(C(F)F)cc1F
InChIInChI=1S/C8H6F3N3/c9-5-1-4(8(10)11)6(2-12)14-7(5)3-13/h1,8H,2,12H2
InChIKeyVHFXRQTYWMYCBE-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.49
Rot. Bonds2

About 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile

6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 118831507) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
PubChem CID118831507
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(CN)c(C(F)F)cc1F
InChIInChI=1S/C8H6F3N3/c9-5-1-4(8(10)11)6(2-12)14-7(5)3-13/h1,8H,2,12H2
InChIKeyVHFXRQTYWMYCBE-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

6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
6-(difluoromethyl)-3,5-difluoropyridine-2-carbonitrile
CID 119013699
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118853773
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (CID 118831507) is 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is N#Cc1nc(CN)c(C(F)F)cc1F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is VHFXRQTYWMYCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-5-1-4(8(10)11)6(2-12)14-7(5)3-13/h1,8H,2,12H2.
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-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 6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 118831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).