6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile

C8H5ClF3N3O — CID 131612363

IUPAC6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(CCl)cc(N)nc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3N3O/c9-2-4-1-6(14)15-7(5(4)3-13)16-8(10,11)12/h1H,2H2,(H2,14,15)
InChIKeyPLOCIHBJFXMPMN-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.17
Rot. Bonds2

About 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile

6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131612363) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131612363
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1c(CCl)cc(N)nc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3N3O/c9-2-4-1-6(14)15-7(5(4)3-13)16-8(10,11)12/h1H,2H2,(H2,14,15)
InChIKeyPLOCIHBJFXMPMN-UHFFFAOYSA-N
XLogP2.17
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-methoxy-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131504220
6-amino-3-cyano-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 133096268
6-amino-4-nitro-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096277
4-amino-6-bromo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279572
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
6-amino-2-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630346
2-[5-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134679452
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131612363) is 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1c(CCl)cc(N)nc1OC(F)(F)F.
What is the InChIKey of 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is PLOCIHBJFXMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c9-2-4-1-6(14)15-7(5(4)3-13)16-8(10,11)12/h1H,2H2,(H2,14,15).
What are the key properties of 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile?
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 251.59 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131612363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).