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

C12H16ClF3N2O — CID 107154974

IUPAC1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-7(2)3-9(19)6-17-11-5-8(12(14,15)16)4-10(13)18-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18)
InChIKeyXIXMIXHOPDPTJP-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.57
Rot. Bonds5

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

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol (PubChem CID 107154974) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
PubChem CID107154974
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-7(2)3-9(19)6-17-11-5-8(12(14,15)16)4-10(13)18-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18)
InChIKeyXIXMIXHOPDPTJP-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

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
1-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159886
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol (CID 107154974) is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
The InChIKey is XIXMIXHOPDPTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-7(2)3-9(19)6-17-11-5-8(12(14,15)16)4-10(13)18-11/h4-5,7,9,19H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol?
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-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 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107154974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).