4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol

C12H16ClF3N2O — CID 106149299

IUPAC4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-11(2,3-4-19)7-17-10-6-8(12(14,15)16)5-9(13)18-10/h5-6,19H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyYKXYHIPBBUFZES-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.57
Rot. Bonds5

About 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol

4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149299) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106149299
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-11(2,3-4-19)7-17-10-6-8(12(14,15)16)5-9(13)18-10/h5-6,19H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyYKXYHIPBBUFZES-UHFFFAOYSA-N
XLogP3.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
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-[[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
1-[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine
CID 18186875
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
1-[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine
CID 28875858
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
2-[(6-Fluoro-4-methyl-2-pyridinyl)amino]ethanol
CID 68084188

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol (CID 106149299) is 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YKXYHIPBBUFZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-11(2,3-4-19)7-17-10-6-8(12(14,15)16)5-9(13)18-10/h5-6,19H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?
4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 296.72 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).