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

C8H6F3N3O2 — CID 118834947

IUPAC4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CO)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-5(1-12)14-2-4(3-15)6(7)13/h2,15H,3H2,(H2,13,14)
InChIKeyNIGXWGNNQPXSGX-UHFFFAOYSA-N
MW233.15 g/mol
LogP0.93
Rot. Bonds2

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

4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118834947) has the molecular formula C8H6F3N3O2 and a molecular weight of 233.15 g/mol. Its IUPAC name is 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118834947
Molecular FormulaC8H6F3N3O2
Molecular Weight233.15 g/mol
Exact Mass233.04
IUPAC Name4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(CO)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-5(1-12)14-2-4(3-15)6(7)13/h2,15H,3H2,(H2,13,14)
InChIKeyNIGXWGNNQPXSGX-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

4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834504
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
2-[3-amino-5-(aminomethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133085802
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
5-(hydroxymethyl)-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091929
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118834947) is 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1ncc(CO)c(N)c1OC(F)(F)F.
What is the InChIKey of 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is NIGXWGNNQPXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O2/c9-8(10,11)16-7-5(1-12)14-2-4(3-15)6(7)13/h2,15H,3H2,(H2,13,14).
What are the key properties of 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-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 4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118834947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).