6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide

C8H5F3N4O2 — CID 119010545

IUPAC6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESN#Cc1cc(OC(F)(F)F)c(N)nc1C(N)=O
InChIInChI=1S/C8H5F3N4O2/c9-8(10,11)17-4-1-3(2-12)5(7(14)16)15-6(4)13/h1H,(H2,13,15)(H2,14,16)
InChIKeyDYNSXKNLPXZNHU-UHFFFAOYSA-N
MW246.15 g/mol
LogP0.53
Rot. Bonds2

About 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide

6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide (PubChem CID 119010545) has the molecular formula C8H5F3N4O2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
PubChem CID119010545
Molecular FormulaC8H5F3N4O2
Molecular Weight246.15 g/mol
Exact Mass246.04
IUPAC Name6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
SMILESN#Cc1cc(OC(F)(F)F)c(N)nc1C(N)=O
InChIInChI=1S/C8H5F3N4O2/c9-8(10,11)17-4-1-3(2-12)5(7(14)16)15-6(4)13/h1H,(H2,13,15)(H2,14,16)
InChIKeyDYNSXKNLPXZNHU-UHFFFAOYSA-N
XLogP0.53
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096435
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
6-amino-5-cyano-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 133094791
2-amino-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624032
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
6-amino-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118997448
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
3-amino-2-cyano-6-(trifluoromethoxy)pyridine-4-carboxamide
CID 133095263
methyl 6-amino-4-cyano-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096930
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide (CID 119010545) is 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide is N#Cc1cc(OC(F)(F)F)c(N)nc1C(N)=O.
What is the InChIKey of 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide?
The InChIKey is DYNSXKNLPXZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O2/c9-8(10,11)17-4-1-3(2-12)5(7(14)16)15-6(4)13/h1H,(H2,13,15)(H2,14,16).
What are the key properties of 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide?
6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 119010545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).