[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol

C14H13ClN2O4 — CID 79557329

IUPAC[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])c(CO)n1
InChIInChI=1S/C14H13ClN2O4/c1-9-2-5-14(12(7-18)16-9)21-8-10-6-11(15)3-4-13(10)17(19)20/h2-6,18H,7-8H2,1H3
InChIKeyYAURFRGXJFKNDL-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.02
Rot. Bonds5

About [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol

[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 79557329) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID79557329
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])c(CO)n1
InChIInChI=1S/C14H13ClN2O4/c1-9-2-5-14(12(7-18)16-9)21-8-10-6-11(15)3-4-13(10)17(19)20/h2-6,18H,7-8H2,1H3
InChIKeyYAURFRGXJFKNDL-UHFFFAOYSA-N
XLogP3.02
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.02
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

[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanone
CID 79211794
(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
CID 79557153
(5-chloro-2-nitrophenyl)methoxy-trimethylsilane
CID 91738137
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-4-chloro-1-nitrobenzene
CID 79557676
4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
2-bromo-4-(chloromethyl)-1-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 79555347
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol (CID 79557329) is [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])c(CO)n1.
What is the InChIKey of [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is YAURFRGXJFKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9-2-5-14(12(7-18)16-9)21-8-10-6-11(15)3-4-13(10)17(19)20/h2-6,18H,7-8H2,1H3.
What are the key properties of [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 308.72 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79557329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).