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

C7H3F4N3O — CID 119020973

IUPAC2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)ncc(F)c1OC(F)(F)F
InChIInChI=1S/C7H3F4N3O/c8-4-2-14-6(13)3(1-12)5(4)15-7(9,10)11/h2H,(H2,13,14)
InChIKeyWTNXQAXDRRPVKC-UHFFFAOYSA-N
MW221.11 g/mol
LogP1.57
Rot. Bonds1

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

2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 119020973) has the molecular formula C7H3F4N3O and a molecular weight of 221.11 g/mol. Its IUPAC name is 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID119020973
Molecular FormulaC7H3F4N3O
Molecular Weight221.11 g/mol
Exact Mass221.02
IUPAC Name2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(N)ncc(F)c1OC(F)(F)F
InChIInChI=1S/C7H3F4N3O/c8-4-2-14-6(13)3(1-12)5(4)15-7(9,10)11/h2H,(H2,13,14)
InChIKeyWTNXQAXDRRPVKC-UHFFFAOYSA-N
XLogP1.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 119020973) is 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(N)ncc(F)c1OC(F)(F)F.
What is the InChIKey of 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is WTNXQAXDRRPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4N3O/c8-4-2-14-6(13)3(1-12)5(4)15-7(9,10)11/h2H,(H2,13,14).
What are the key properties of 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile?
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 221.11 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 119020973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).