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

C8H5F4N3O — CID 119004128

IUPAC2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cnc(N)c1CF
InChIInChI=1S/C8H5F4N3O/c9-1-4-5(2-13)6(3-15-7(4)14)16-8(10,11)12/h3H,1H2,(H2,14,15)
InChIKeyCJVQEGKMJFSNMU-UHFFFAOYSA-N
MW235.14 g/mol
LogP1.90
Rot. Bonds2

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

2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119004128) has the molecular formula C8H5F4N3O and a molecular weight of 235.14 g/mol. Its IUPAC name is 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119004128
Molecular FormulaC8H5F4N3O
Molecular Weight235.14 g/mol
Exact Mass235.04
IUPAC Name2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(OC(F)(F)F)cnc(N)c1CF
InChIInChI=1S/C8H5F4N3O/c9-1-4-5(2-13)6(3-15-7(4)14)16-8(10,11)12/h3H,1H2,(H2,14,15)
InChIKeyCJVQEGKMJFSNMU-UHFFFAOYSA-N
XLogP1.90
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
2-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095709
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133095290
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119004128) is 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(OC(F)(F)F)cnc(N)c1CF.
What is the InChIKey of 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is CJVQEGKMJFSNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4N3O/c9-1-4-5(2-13)6(3-15-7(4)14)16-8(10,11)12/h3H,1H2,(H2,14,15).
What are the key properties of 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 235.14 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119004128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).