2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine

C15H15ClN2O2 — CID 91177631

IUPAC2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine
SMILESCc1ccc(OCc2ccc(CC(Cl)N=O)cc2)nc1
InChIInChI=1S/C15H15ClN2O2/c1-11-2-7-15(17-9-11)20-10-13-5-3-12(4-6-13)8-14(16)18-19/h2-7,9,14H,8,10H2,1H3
InChIKeyQJAOQJJSLCPLKJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.84
Rot. Bonds6

About 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine

2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine (PubChem CID 91177631) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine.

Molecular Properties

Compound Name2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine
PubChem CID91177631
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine
SMILESCc1ccc(OCc2ccc(CC(Cl)N=O)cc2)nc1
InChIInChI=1S/C15H15ClN2O2/c1-11-2-7-15(17-9-11)20-10-13-5-3-12(4-6-13)8-14(16)18-19/h2-7,9,14H,8,10H2,1H3
InChIKeyQJAOQJJSLCPLKJ-UHFFFAOYSA-N
XLogP3.84
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine
CID 91046639
5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
CID 91373344
5-methyl-2-(1,1,2,2-tetrafluoroethoxy)pyridine
CID 54300208
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754
carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
6-[(6-methyl-3-pyridinyl)methoxy]pyridin-3-ol
CID 159410066
(4-methylphenyl)methyl hypochlorite
CID 174764062
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine?
The IUPAC name of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine (CID 91177631) is 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine.
What is the SMILES notation for 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine?
The canonical SMILES for 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine is Cc1ccc(OCc2ccc(CC(Cl)N=O)cc2)nc1.
What is the InChIKey of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine?
The InChIKey is QJAOQJJSLCPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11-2-7-15(17-9-11)20-10-13-5-3-12(4-6-13)8-14(16)18-19/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine?
2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine has a molecular weight of 290.75 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-5-methylpyridine is sourced from PubChem (CID 91177631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).