1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol

C11H14ClF3N2O2 — CID 102715710

IUPAC1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O2/c1-17(5-8(18)6-19-2)10-4-7(11(13,14)15)3-9(12)16-10/h3-4,8,18H,5-6H2,1-2H3
InChIKeyXOWDYUBNBFGIFT-UHFFFAOYSA-N
MW298.69 g/mol
LogP2.20
Rot. Bonds5

About 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol

1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 102715710) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID102715710
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O2/c1-17(5-8(18)6-19-2)10-4-7(11(13,14)15)3-9(12)16-10/h3-4,8,18H,5-6H2,1-2H3
InChIKeyXOWDYUBNBFGIFT-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carboxylic acid
CID 54998875
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80811552
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
1-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 60567566
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
1-methoxy-3-[methyl-(4-methylquinolin-2-yl)amino]propan-2-ol
CID 71996713
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 102720682

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol (CID 102715710) is 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is XOWDYUBNBFGIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2/c1-17(5-8(18)6-19-2)10-4-7(11(13,14)15)3-9(12)16-10/h3-4,8,18H,5-6H2,1-2H3.
What are the key properties of 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol?
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 298.69 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 102715710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).