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

C10H11ClF3NO2 — CID 106972093

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H11ClF3NO2/c1-17-5-4-7(16)6-2-3-8(10(12,13)14)15-9(6)11/h2-3,7,16H,4-5H2,1H3
InChIKeyOIAAOMJOIBTOBL-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.82
Rot. Bonds4

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

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol (PubChem CID 106972093) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol
PubChem CID106972093
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H11ClF3NO2/c1-17-5-4-7(16)6-2-3-8(10(12,13)14)15-9(6)11/h2-3,7,16H,4-5H2,1H3
InChIKeyOIAAOMJOIBTOBL-UHFFFAOYSA-N
XLogP2.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol (CID 106972093) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol is COCCC(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol?
The InChIKey is OIAAOMJOIBTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2/c1-17-5-4-7(16)6-2-3-8(10(12,13)14)15-9(6)11/h2-3,7,16H,4-5H2,1H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol has a molecular weight of 269.65 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-methoxypropan-1-ol is sourced from PubChem (CID 106972093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).