5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile

C8H6F3N3O2 — CID 131600848

IUPAC5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-4(1-12)2-14-5(3-15)6(7)13/h2,15H,3,13H2
InChIKeyNAXCSNKLHQJYKZ-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.93
Rot. Bonds2

About 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131600848) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131600848
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-4(1-12)2-14-5(3-15)6(7)13/h2,15H,3,13H2
InChIKeyNAXCSNKLHQJYKZ-UHFFFAOYSA-N
XLogP0.93
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834947
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131600848) is 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(CO)c(N)c1OC(F)(F)F.
What is the InChIKey of 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is NAXCSNKLHQJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-4(1-12)2-14-5(3-15)6(7)13/h2,15H,3,13H2.
What are the key properties of 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 233.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131600848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).