[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol

C13H12ClNO2 — CID 62472318

IUPAC[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H12ClNO2/c14-13-7-11(4-5-15-13)9-17-12-3-1-2-10(6-12)8-16/h1-7,16H,8-9H2
InChIKeyIWDIMTVGXCZGHP-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.81
Rot. Bonds4

About [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol

[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol (PubChem CID 62472318) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
PubChem CID62472318
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
SMILESOCc1cccc(OCc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H12ClNO2/c14-13-7-11(4-5-15-13)9-17-12-3-1-2-10(6-12)8-16/h1-7,16H,8-9H2
InChIKeyIWDIMTVGXCZGHP-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.81
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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Related Compounds

[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
(2-chloro-4-pyridinyl)methanol
CID 7062237
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61255053
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140
[3-(3-chloropropoxy)phenyl]methanol
CID 15724711
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol?
The IUPAC name of [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol (CID 62472318) is [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol is OCc1cccc(OCc2ccnc(Cl)c2)c1.
What is the InChIKey of [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol?
The InChIKey is IWDIMTVGXCZGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-13-7-11(4-5-15-13)9-17-12-3-1-2-10(6-12)8-16/h1-7,16H,8-9H2.
What are the key properties of [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol?
[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol has a molecular weight of 249.70 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol is sourced from PubChem (CID 62472318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).