[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol

C13H16ClF3N2O — CID 102716000

IUPAC[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c14-11-4-10(13(15,16)17)5-12(19-11)18-6-8-2-1-3-9(8)7-20/h4-5,8-9,20H,1-3,6-7H2,(H,18,19)
InChIKeyXYQVHZVPJXEOCL-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.57
Rot. Bonds4

About [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol

[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol (PubChem CID 102716000) 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]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
PubChem CID102716000
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
SMILESOCC1CCCC1CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H16ClF3N2O/c14-11-4-10(13(15,16)17)5-12(19-11)18-6-8-2-1-3-9(8)7-20/h4-5,8-9,20H,1-3,6-7H2,(H,18,19)
InChIKeyXYQVHZVPJXEOCL-UHFFFAOYSA-N
XLogP3.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857
2-[[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 102718792
[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80855981
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716115
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
[2-[[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80959887

Frequently Asked Questions

What is the IUPAC name of [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol (CID 102716000) is [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol is OCC1CCCC1CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol?
The InChIKey is XYQVHZVPJXEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-11-4-10(13(15,16)17)5-12(19-11)18-6-8-2-1-3-9(8)7-20/h4-5,8-9,20H,1-3,6-7H2,(H,18,19).
What are the key properties of [2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol?
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol has a molecular weight of 308.73 g/mol, XLogP of 3.57, 4 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]methyl]cyclopentyl]methanol is sourced from PubChem (CID 102716000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).