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

C8H7F2N3O — CID 130103592

IUPAC5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)F)c1CO
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-4(3-14)6(1-11)13-2-5(7)12/h2,8,14H,3,12H2
InChIKeyISSLTEXVRCSXAP-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile

5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130103592) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130103592
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)F)c1CO
InChIInChI=1S/C8H7F2N3O/c9-8(10)7-4(3-14)6(1-11)13-2-5(7)12/h2,8,14H,3,12H2
InChIKeyISSLTEXVRCSXAP-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

5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130108860
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103568
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
5-(bromomethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079002
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile (CID 130103592) is 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1ncc(N)c(C(F)F)c1CO.
What is the InChIKey of 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is ISSLTEXVRCSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)7-4(3-14)6(1-11)13-2-5(7)12/h2,8,14H,3,12H2.
What are the key properties of 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile?
5-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 5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).