2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol

C13H16ClF3N2O — CID 102716139

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c14-11-6-8(13(15,16)17)7-12(19-11)18-9-4-2-1-3-5-10(9)20/h6-7,9-10,20H,1-5H2,(H,18,19)
InChIKeyIDBPVHFNAJVFMC-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.86
Rot. Bonds2

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol (PubChem CID 102716139) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
PubChem CID102716139
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c14-11-6-8(13(15,16)17)7-12(19-11)18-9-4-2-1-3-5-10(9)20/h6-7,9-10,20H,1-5H2,(H,18,19)
InChIKeyIDBPVHFNAJVFMC-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol 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-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 102718306
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715826
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716115
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
6-N-(2-methylcycloheptyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718779
methyl (2S)-3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylate
CID 162602015
6-chloro-N-(1-ethylpiperidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 106193705
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol (CID 102716139) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol is OC1CCCCCC1Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol?
The InChIKey is IDBPVHFNAJVFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-11-6-8(13(15,16)17)7-12(19-11)18-9-4-2-1-3-5-10(9)20/h6-7,9-10,20H,1-5H2,(H,18,19).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol has a molecular weight of 308.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 102716139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).