5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol

C13H18ClF3N2O — CID 106149360

IUPAC5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-12(2,4-3-5-20)8-18-11-7-9(13(15,16)17)6-10(14)19-11/h6-7,20H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyTXZHNEARGWBYBM-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.96
Rot. Bonds6

About 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol

5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106149360) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106149360
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-12(2,4-3-5-20)8-18-11-7-9(13(15,16)17)6-10(14)19-11/h6-7,20H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyTXZHNEARGWBYBM-UHFFFAOYSA-N
XLogP3.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.96
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

{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3-ethyl-3-piperidinyl}methanol
CID 45932493
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 43388767
(1-{[(5-Chloro-6-methylpyridin-2-yl)amino]methyl}cyclobutyl)methanol
CID 132418689
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 20339534
2-(2-Dimethylaminoethylamino)-4-trifluoromethyl-6-chloropyridine
CID 20339624
6-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine
CID 58127318
2-Chloro-6-[[1-(hydroxymethyl)-2-methyl-propyl]amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58265083
6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
CID 59131330
3-{[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300447
3-{[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300473
[6-(4-Chloro-benzylamino)-2-fluoro-pyridin-3-yl]-methanol
CID 59593272
6-Chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-5-(trifluoromethyl)pyridin-2-amine
CID 72942110

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (CID 106149360) is 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is TXZHNEARGWBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-12(2,4-3-5-20)8-18-11-7-9(13(15,16)17)6-10(14)19-11/h6-7,20H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol?
5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 310.75 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106149360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).