[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol

C12H9ClFNO2 — CID 105067210

IUPAC[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H9ClFNO2/c13-10-2-1-9(5-11(10)14)17-12-6-15-4-3-8(12)7-16/h1-6,16H,7H2
InChIKeyBNQCVKAELVUFCH-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.16
Rot. Bonds3

About [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol

[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol (PubChem CID 105067210) has the molecular formula C12H9ClFNO2 and a molecular weight of 253.66 g/mol. Its IUPAC name is [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
PubChem CID105067210
Molecular FormulaC12H9ClFNO2
Molecular Weight253.66 g/mol
Exact Mass253.03
IUPAC Name[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H9ClFNO2/c13-10-2-1-9(5-11(10)14)17-12-6-15-4-3-8(12)7-16/h1-6,16H,7H2
InChIKeyBNQCVKAELVUFCH-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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Related Compounds

[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[3-[3-(dimethylamino)phenoxy]-4-pyridinyl]methanol
CID 105067102
[2-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105067086
[3-(4-ethoxy-2-fluorophenyl)-4-pyridinyl]methanol
CID 169447892
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol (CID 105067210) is [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol is OCc1ccncc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol?
The InChIKey is BNQCVKAELVUFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2/c13-10-2-1-9(5-11(10)14)17-12-6-15-4-3-8(12)7-16/h1-6,16H,7H2.
What are the key properties of [3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol?
[3-(4-chloro-3-fluorophenoxy)-4-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-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 105067210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).