6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine

C13H10ClF3N2 — CID 107266358

IUPAC6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H10ClF3N2/c1-7-11(2-3-12(14)19-7)18-6-8-4-9(15)13(17)10(16)5-8/h2-5,18H,6H2,1H3
InChIKeyIHCHBEWNEDXFOX-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.07
Rot. Bonds3

About 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine

6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine (PubChem CID 107266358) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
PubChem CID107266358
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H10ClF3N2/c1-7-11(2-3-12(14)19-7)18-6-8-4-9(15)13(17)10(16)5-8/h2-5,18H,6H2,1H3
InChIKeyIHCHBEWNEDXFOX-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine 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-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588
N-(6-chloro-2-methyl-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 107301415
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
4-bromo-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 55199010
4-bromo-2,3-dichloro-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 107787508
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378
5-[[(6-chloro-2-methyl-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 107266262
2-bromo-5-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 82761852
6-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 107266335
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 107266310
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine (CID 107266358) is 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine is Cc1nc(Cl)ccc1NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
The InChIKey is IHCHBEWNEDXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-7-11(2-3-12(14)19-7)18-6-8-4-9(15)13(17)10(16)5-8/h2-5,18H,6H2,1H3.
What are the key properties of 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine?
6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine has a molecular weight of 286.68 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 107266358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).