2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine

C13H11ClN2O4 — CID 103201604

IUPAC2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
SMILESCOc1ccc(OCc2cccnc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c1-19-12-5-4-10(7-11(12)16(17)18)20-8-9-3-2-6-15-13(9)14/h2-7H,8H2,1H3
InChIKeyYPWNXPRDBWYJPN-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.23
Rot. Bonds5

About 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine

2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine (PubChem CID 103201604) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
PubChem CID103201604
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
SMILESCOc1ccc(OCc2cccnc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN2O4/c1-19-12-5-4-10(7-11(12)16(17)18)20-8-9-3-2-6-15-13(9)14/h2-7H,8H2,1H3
InChIKeyYPWNXPRDBWYJPN-UHFFFAOYSA-N
XLogP3.23
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
CID 63597772
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
3-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201672
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
4-[2-(2-chloroethoxy)ethoxy]-1-methoxy-2-nitrobenzene
CID 103201593
3-[(2-bromo-5-nitrophenoxy)methyl]-2-chloropyridine
CID 102975217
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine (CID 103201604) is 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine is COc1ccc(OCc2cccnc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine?
The InChIKey is YPWNXPRDBWYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-19-12-5-4-10(7-11(12)16(17)18)20-8-9-3-2-6-15-13(9)14/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine?
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine has a molecular weight of 294.69 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 103201604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).