[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol

C12H9ClFNO2 — CID 61257735

IUPAC[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol
SMILESOCc1nc(Oc2ccccc2F)ccc1Cl
InChIInChI=1S/C12H9ClFNO2/c13-8-5-6-12(15-10(8)7-16)17-11-4-2-1-3-9(11)14/h1-6,16H,7H2
InChIKeyPFWANXXPQFTNML-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.16
Rot. Bonds3

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

[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol (PubChem CID 61257735) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol
PubChem CID61257735
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol
SMILESOCc1nc(Oc2ccccc2F)ccc1Cl
InChIInChI=1S/C12H9ClFNO2/c13-8-5-6-12(15-10(8)7-16)17-11-4-2-1-3-9(11)14/h1-6,16H,7H2
InChIKeyPFWANXXPQFTNML-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol (CID 61257735) is [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol is OCc1nc(Oc2ccccc2F)ccc1Cl.
What is the InChIKey of [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol?
The InChIKey is PFWANXXPQFTNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c13-8-5-6-12(15-10(8)7-16)17-11-4-2-1-3-9(11)14/h1-6,16H,7H2.
What are the key properties of [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol?
[3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol has a molecular weight of 253.66 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2-fluorophenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61257735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).