5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine

C14H11ClF2N2O2 — CID 91373344

IUPAC5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
SMILESO=NC(Cl)Cc1ccc(OCc2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11ClF2N2O2/c15-13(19-20)5-9-1-4-14(18-7-9)21-8-10-2-3-11(16)6-12(10)17/h1-4,6-7,13H,5,8H2
InChIKeyAEJNSFWKBXXOIS-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.81
Rot. Bonds6

About 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine

5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine (PubChem CID 91373344) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
PubChem CID91373344
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC Name5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
SMILESO=NC(Cl)Cc1ccc(OCc2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11ClF2N2O2/c15-13(19-20)5-9-1-4-14(18-7-9)21-8-10-2-3-11(16)6-12(10)17/h1-4,6-7,13H,5,8H2
InChIKeyAEJNSFWKBXXOIS-UHFFFAOYSA-N
XLogP3.81
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.81
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'}

Analyze 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)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

(2,4-difluorophenyl)methyl nitrite
CID 174767305
[2-[(2,4-difluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 171787074
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
2-[(2-chloro-5-fluoro-4-isocyanatophenyl)methoxy]-5-fluoropyridine
CID 172564263
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80639619
5-chloro-2-fluoro-4-[(5-fluoro-2-pyridinyl)oxymethyl]benzoic acid
CID 172564528
2-[(4-tert-butylphenyl)methyl]-4-[(2,4-difluorophenyl)methoxy]-1H-pyrimidin-6-one
CID 172817814
methyl 4-[[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoate
CID 21090204
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine?
The IUPAC name of 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine (CID 91373344) is 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine.
What is the SMILES notation for 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine?
The canonical SMILES for 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine is O=NC(Cl)Cc1ccc(OCc2ccc(F)cc2F)nc1.
What is the InChIKey of 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine?
The InChIKey is AEJNSFWKBXXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-13(19-20)5-9-1-4-14(18-7-9)21-8-10-2-3-11(16)6-12(10)17/h1-4,6-7,13H,5,8H2.
What are the key properties of 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine?
5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine has a molecular weight of 312.70 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine is sourced from PubChem (CID 91373344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).