2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile

C8H7F2N3O — CID 118831356

IUPAC2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1c(CN)ncc(O)c1C(F)F
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-4(1-11)5(2-12)13-3-6(7)14/h3,8,14H,2,12H2
InChIKeyJVECBXSAHWYVCY-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.06
Rot. Bonds2

About 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile

2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile (PubChem CID 118831356) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
PubChem CID118831356
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1c(CN)ncc(O)c1C(F)F
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-4(1-11)5(2-12)13-3-6(7)14/h3,8,14H,2,12H2
InChIKeyJVECBXSAHWYVCY-UHFFFAOYSA-N
XLogP1.06
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
6-(aminomethyl)-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 118825681
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
4-(difluoromethyl)-5-hydroxy-2-methoxypyridine-3-carbonitrile
CID 130076452
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
methyl 3-cyano-4-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 130076940
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile (CID 118831356) is 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile is N#Cc1c(CN)ncc(O)c1C(F)F.
What is the InChIKey of 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The InChIKey is JVECBXSAHWYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-4(1-11)5(2-12)13-3-6(7)14/h3,8,14H,2,12H2.
What are the key properties of 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile is sourced from PubChem (CID 118831356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).