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

C8H5ClF3N3O — CID 131393888

IUPAC3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H5ClF3N3O/c9-2-4-1-6(16-8(10,11)12)7(14)5(3-13)15-4/h1H,2,14H2
InChIKeyCKOUQNQXMRFAJP-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.17
Rot. Bonds2

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

3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131393888) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131393888
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)cc(OC(F)(F)F)c1N
InChIInChI=1S/C8H5ClF3N3O/c9-2-4-1-6(16-8(10,11)12)7(14)5(3-13)15-4/h1H,2,14H2
InChIKeyCKOUQNQXMRFAJP-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 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-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

5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
3-amino-6-formyl-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095236
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091860
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
2-[5-(chloromethyl)-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094633
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977
3-amino-4-formyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095262
6-amino-4-(chloromethyl)-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131612363
5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
3-amino-2-cyano-6-(trifluoromethoxy)pyridine-4-carboxamide
CID 133095263

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131393888) is 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(CCl)cc(OC(F)(F)F)c1N.
What is the InChIKey of 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is CKOUQNQXMRFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c9-2-4-1-6(16-8(10,11)12)7(14)5(3-13)15-4/h1H,2,14H2.
What are the key properties of 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-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 3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131393888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).