6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile

C8H7F2N3O — CID 130103568

IUPAC6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N)cc(C(F)F)c1CO
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-1-7(12)13-6(2-11)5(4)3-14/h1,8,14H,3H2,(H2,12,13)
InChIKeyDALGLSKMGDYDCJ-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.97
Rot. Bonds2

About 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile

6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130103568) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130103568
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N)cc(C(F)F)c1CO
InChIInChI=1S/C8H7F2N3O/c9-8(10)4-1-7(12)13-6(2-11)5(4)3-14/h1,8,14H,3H2,(H2,12,13)
InChIKeyDALGLSKMGDYDCJ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-5-(hydroxymethyl)-6-methylpyridine-2-carbonitrile
CID 130078307
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile (CID 130103568) is 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(N)cc(C(F)F)c1CO.
What is the InChIKey of 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is DALGLSKMGDYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)4-1-7(12)13-6(2-11)5(4)3-14/h1,8,14H,3H2,(H2,12,13).
What are the key properties of 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).