[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol

C12H8Cl2FNO — CID 90062081

IUPAC[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2FNO/c13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11/h1-5,17H,6H2
InChIKeyDMEBTAHCAKEUQG-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.69
Rot. Bonds2

About [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol

[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol (PubChem CID 90062081) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
PubChem CID90062081
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C12H8Cl2FNO/c13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11/h1-5,17H,6H2
InChIKeyDMEBTAHCAKEUQG-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.69
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 [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol (CID 90062081) is [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol is OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol?
The InChIKey is DMEBTAHCAKEUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11/h1-5,17H,6H2.
What are the key properties of [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol?
[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol has a molecular weight of 272.11 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 90062081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).