[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol

C13H11ClN2O4 — CID 79799534

IUPAC[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(COc2ccc(CO)nc2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O4/c14-13-5-11(16(18)19)3-1-9(13)8-20-12-4-2-10(7-17)15-6-12/h1-6,17H,7-8H2
InChIKeyFIIAKQPKGQNUDT-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.71
Rot. Bonds5

About [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol

[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol (PubChem CID 79799534) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
PubChem CID79799534
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1ccc(COc2ccc(CO)nc2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O4/c14-13-5-11(16(18)19)3-1-9(13)8-20-12-4-2-10(7-17)15-6-12/h1-6,17H,7-8H2
InChIKeyFIIAKQPKGQNUDT-UHFFFAOYSA-N
XLogP2.71
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloro-4-nitrophenyl)methoxy]-2-fluoropyridine
CID 113296504
[5-(2-methyl-4-nitrophenoxy)-2-pyridinyl]methanol
CID 69259295
3-chloro-4-[(4-nitrophenoxy)methyl]benzoic acid
CID 102670198
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
(1S)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanol
CID 78934285
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
(1R)-1-[3-[(2-chloro-4-nitrophenyl)methoxy]phenyl]ethanamine
CID 63368526
3-bromo-4-[(2-chloro-4-nitrophenyl)methoxy]benzaldehyde
CID 63051105
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
CID 62343808
4-[(2-chloro-5-nitrophenyl)methoxy]benzonitrile
CID 43169197
4-chloro-2-[(2-chloro-4-nitrophenyl)methoxy]benzonitrile
CID 114322789
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
CID 63529440

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol (CID 79799534) is [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol is O=[N+]([O-])c1ccc(COc2ccc(CO)nc2)c(Cl)c1.
What is the InChIKey of [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol?
The InChIKey is FIIAKQPKGQNUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-13-5-11(16(18)19)3-1-9(13)8-20-12-4-2-10(7-17)15-6-12/h1-6,17H,7-8H2.
What are the key properties of [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol?
[5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol has a molecular weight of 294.69 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-nitrophenyl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 79799534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).