2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine

C14H12ClFN2O2 — CID 91046639

IUPAC2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine
SMILESO=NC(Cl)Cc1ccc(COc2cc(F)ccn2)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-13(18-19)7-10-1-3-11(4-2-10)9-20-14-8-12(16)5-6-17-14/h1-6,8,13H,7,9H2
InChIKeyBRUZMGYIYPSNKX-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.67
Rot. Bonds6

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

2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine (PubChem CID 91046639) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine.

Molecular Properties

Compound Name2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine
PubChem CID91046639
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine
SMILESO=NC(Cl)Cc1ccc(COc2cc(F)ccn2)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-13(18-19)7-10-1-3-11(4-2-10)9-20-14-8-12(16)5-6-17-14/h1-6,8,13H,7,9H2
InChIKeyBRUZMGYIYPSNKX-UHFFFAOYSA-N
XLogP3.67
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.67
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]-5-methylpyridine
CID 91177631
5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
CID 91373344
4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine
CID 90455512
[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 69248069
1-(2-chloro-2-nitrosoethyl)-4-(2-fluorophenoxy)benzene
CID 91152313
2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
CID 176730678
4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
CID 124928542
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111233262
1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
CID 82827387
[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 171787074
3-[(4-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090110

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine?
The IUPAC name of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine (CID 91046639) is 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine.
What is the SMILES notation for 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine?
The canonical SMILES for 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine is O=NC(Cl)Cc1ccc(COc2cc(F)ccn2)cc1.
What is the InChIKey of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine?
The InChIKey is BRUZMGYIYPSNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-13(18-19)7-10-1-3-11(4-2-10)9-20-14-8-12(16)5-6-17-14/h1-6,8,13H,7,9H2.
What are the key properties of 2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine?
2-[[4-(2-chloro-2-nitrosoethyl)phenyl]methoxy]-4-fluoropyridine has a molecular weight of 294.71 g/mol, XLogP of 3.67, 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]-4-fluoropyridine is sourced from PubChem (CID 91046639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).