2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine

C14H13ClN2O3 — CID 79169537

IUPAC2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2)c(CCl)n1
InChIInChI=1S/C14H13ClN2O3/c1-10-5-6-14(13(8-15)16-10)20-9-11-3-2-4-12(7-11)17(18)19/h2-7H,8-9H2,1H3
InChIKeyLEDVXCXKSVWNMT-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.62
Rot. Bonds5

About 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine

2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine (PubChem CID 79169537) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
PubChem CID79169537
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
SMILESCc1ccc(OCc2cccc([N+](=O)[O-])c2)c(CCl)n1
InChIInChI=1S/C14H13ClN2O3/c1-10-5-6-14(13(8-15)16-10)20-9-11-3-2-4-12(7-11)17(18)19/h2-7H,8-9H2,1H3
InChIKeyLEDVXCXKSVWNMT-UHFFFAOYSA-N
XLogP3.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 78929256
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
1-(chloromethyl)-4-methoxy-2-[(3-nitrophenyl)methoxy]benzene
CID 61269650
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
6-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79163844
1,2-dichloro-3-[(3-nitrophenyl)methoxy]benzene
CID 112787351
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
5-chloro-2-[(3-nitrophenyl)methoxy]benzaldehyde
CID 43244315
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine (CID 79169537) is 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine is Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine?
The InChIKey is LEDVXCXKSVWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-10-5-6-14(13(8-15)16-10)20-9-11-3-2-4-12(7-11)17(18)19/h2-7H,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine?
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine has a molecular weight of 292.72 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine is sourced from PubChem (CID 79169537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).