1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol

C14H10BrClF3NO — CID 106971462

IUPAC1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1cccc(Br)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H10BrClF3NO/c1-13(21,8-3-2-4-9(15)7-8)10-5-6-11(14(17,18)19)20-12(10)16/h2-7,21H,1H3
InChIKeyFWCPSQQGKDRNOK-UHFFFAOYSA-N
MW380.59 g/mol
LogP4.77
Rot. Bonds2

About 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol

1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 106971462) has the molecular formula C14H10BrClF3NO and a molecular weight of 380.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID106971462
Molecular FormulaC14H10BrClF3NO
Molecular Weight380.59 g/mol
Exact Mass378.96
IUPAC Name1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1cccc(Br)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C14H10BrClF3NO/c1-13(21,8-3-2-4-9(15)7-8)10-5-6-11(14(17,18)19)20-12(10)16/h2-7,21H,1H3
InChIKeyFWCPSQQGKDRNOK-UHFFFAOYSA-N
XLogP4.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.59
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol (CID 106971462) is 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol is CC(O)(c1cccc(Br)c1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is FWCPSQQGKDRNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO/c1-13(21,8-3-2-4-9(15)7-8)10-5-6-11(14(17,18)19)20-12(10)16/h2-7,21H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol?
1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 380.59 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 106971462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).