1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone

C14H12ClNO3 — CID 121418316

IUPAC1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(OCc2ccc(Cl)nc2)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-9(17)12-6-11(3-4-13(12)18)19-8-10-2-5-14(15)16-7-10/h2-7,18H,8H2,1H3
InChIKeyMGWOOWIBEOHFOT-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.22
Rot. Bonds4

About 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone

1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone (PubChem CID 121418316) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone
PubChem CID121418316
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(OCc2ccc(Cl)nc2)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-9(17)12-6-11(3-4-13(12)18)19-8-10-2-5-14(15)16-7-10/h2-7,18H,8H2,1H3
InChIKeyMGWOOWIBEOHFOT-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
4-[(6-chloro-3-pyridinyl)methoxy]aniline
CID 20537895
5-[(3-tert-butylphenoxy)methyl]-2-chloropyridine
CID 43351812
methyl 2-acetyl-5-[(4-chlorophenyl)methoxy]benzoate
CID 91864100
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
2-bromo-1-[5-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
CID 59237860
(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
CID 110188571
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone (CID 121418316) is 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone is CC(=O)c1cc(OCc2ccc(Cl)nc2)ccc1O.
What is the InChIKey of 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone?
The InChIKey is MGWOOWIBEOHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9(17)12-6-11(3-4-13(12)18)19-8-10-2-5-14(15)16-7-10/h2-7,18H,8H2,1H3.
What are the key properties of 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone?
1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone has a molecular weight of 277.71 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(6-chloro-3-pyridinyl)methoxy]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 121418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).