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

C7H4F3N3O2 — CID 118834504

IUPAC4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(OC(F)(F)F)c(N)c1O
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-2-13-3(1-11)6(14)5(4)12/h2,14H,(H2,12,13)
InChIKeyZHERMJRXPAWOLG-UHFFFAOYSA-N
MW219.12 g/mol
LogP1.14
Rot. Bonds1

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

4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118834504) has the molecular formula C7H4F3N3O2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118834504
Molecular FormulaC7H4F3N3O2
Molecular Weight219.12 g/mol
Exact Mass219.03
IUPAC Name4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(OC(F)(F)F)c(N)c1O
InChIInChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-2-13-3(1-11)6(14)5(4)12/h2,14H,(H2,12,13)
InChIKeyZHERMJRXPAWOLG-UHFFFAOYSA-N
XLogP1.14
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834947
2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091860
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119017878
4-amino-5-(cyanomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118818085
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118834504) is 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1ncc(OC(F)(F)F)c(N)c1O.
What is the InChIKey of 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is ZHERMJRXPAWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O2/c8-7(9,10)15-4-2-13-3(1-11)6(14)5(4)12/h2,14H,(H2,12,13).
What are the key properties of 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile?
4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 219.12 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118834504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).