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

C9H9F2N3O — CID 130078808

IUPAC3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(C(F)F)cc1CN
InChIInChI=1S/C9H9F2N3O/c10-9(11)6-1-5(2-12)7(3-13)14-8(6)4-15/h1,9,15H,2,4,12H2
InChIKeyQZDZDDRQVZPWAV-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.84
Rot. Bonds3

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

3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 130078808) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID130078808
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(CO)c(C(F)F)cc1CN
InChIInChI=1S/C9H9F2N3O/c10-9(11)6-1-5(2-12)7(3-13)14-8(6)4-15/h1,9,15H,2,4,12H2
InChIKeyQZDZDDRQVZPWAV-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

ethyl 2-[5-(aminomethyl)-6-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133106905
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
5-(bromomethyl)-3-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078932
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
6-(aminomethyl)-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130076567
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile (CID 130078808) is 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1nc(CO)c(C(F)F)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is QZDZDDRQVZPWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c10-9(11)6-1-5(2-12)7(3-13)14-8(6)4-15/h1,9,15H,2,4,12H2.
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile?
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-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 3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130078808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).