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

C8H7F2N3O — CID 130076567

IUPAC6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(CN)cc(C(F)F)c1O
InChIInChI=1S/C8H7F2N3O/c9-8(10)5-1-4(2-11)13-6(3-12)7(5)14/h1,8,14H,2,11H2
InChIKeyPWXRQLLTIBNHSG-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.06
Rot. Bonds2

About 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (PubChem CID 130076567) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
PubChem CID130076567
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(CN)cc(C(F)F)c1O
InChIInChI=1S/C8H7F2N3O/c9-8(10)5-1-4(2-11)13-6(3-12)7(5)14/h1,8,14H,2,11H2
InChIKeyPWXRQLLTIBNHSG-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

6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
ethyl 6-(bromomethyl)-2-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 133107641
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133102439
4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (CID 130076567) is 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is N#Cc1nc(CN)cc(C(F)F)c1O.
What is the InChIKey of 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The InChIKey is PWXRQLLTIBNHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)5-1-4(2-11)13-6(3-12)7(5)14/h1,8,14H,2,11H2.
What are the key properties of 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-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 6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 130076567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).