6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile

C9H9F2N3O — CID 118808652

IUPAC6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(CO)c(CN)nc1C(F)F
InChIInChI=1S/C9H9F2N3O/c10-9(11)8-5(2-12)1-6(4-15)7(3-13)14-8/h1,9,15H,3-4,13H2
InChIKeyXEIRZMJBWXOUQN-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.84
Rot. Bonds3

About 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile

6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 118808652) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID118808652
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(CO)c(CN)nc1C(F)F
InChIInChI=1S/C9H9F2N3O/c10-9(11)8-5(2-12)1-6(4-15)7(3-13)14-8/h1,9,15H,3-4,13H2
InChIKeyXEIRZMJBWXOUQN-UHFFFAOYSA-N
XLogP0.84
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
5-(cyanomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106427
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile (CID 118808652) is 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1cc(CO)c(CN)nc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is XEIRZMJBWXOUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-9(11)8-5(2-12)1-6(4-15)7(3-13)14-8/h1,9,15H,3-4,13H2.
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile?
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile has a molecular weight of 213.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118808652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).