4-chloro-2-nitro-3-phenylpyridine

C11H7ClN2O2 — CID 118850926

IUPAC4-chloro-2-nitro-3-phenylpyridine
SMILESO=[N+]([O-])c1nccc(Cl)c1-c1ccccc1
InChIInChI=1S/C11H7ClN2O2/c12-9-6-7-13-11(14(15)16)10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyWMVUSQDTQZILRT-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-2-nitro-3-phenylpyridine

4-chloro-2-nitro-3-phenylpyridine (PubChem CID 118850926) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 4-chloro-2-nitro-3-phenylpyridine.

Molecular Properties

Compound Name4-chloro-2-nitro-3-phenylpyridine
PubChem CID118850926
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name4-chloro-2-nitro-3-phenylpyridine
SMILESO=[N+]([O-])c1nccc(Cl)c1-c1ccccc1
InChIInChI=1S/C11H7ClN2O2/c12-9-6-7-13-11(14(15)16)10(9)8-4-2-1-3-5-8/h1-7H
InChIKeyWMVUSQDTQZILRT-UHFFFAOYSA-N
XLogP3.31
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097772
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
2-nitro-3-pyridin-3-ylpyridin-4-amine
CID 141377887
3-chloro-2,4-dinitropyridine
CID 174686743
5-methyl-3-nitro-1,4-diphenylpyrazole
CID 145048719
4-chloro-3-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 24903149
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
1,2,3,4-tetranitro-5-(2,3,4,5,6-pentanitrophenyl)-6-phenylbenzene
CID 22253780
1,2-dichlorobenzene;nitromethane
CID 174874189
4-nitro-2-phenylpyridin-3-amine
CID 131339480
4-chloro-5-nitroquinoline
CID 12582845
4-chloro-2-nitropyridine
CID 2762847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-3-phenylpyridine?
The IUPAC name of 4-chloro-2-nitro-3-phenylpyridine (CID 118850926) is 4-chloro-2-nitro-3-phenylpyridine.
What is the SMILES notation for 4-chloro-2-nitro-3-phenylpyridine?
The canonical SMILES for 4-chloro-2-nitro-3-phenylpyridine is O=[N+]([O-])c1nccc(Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-2-nitro-3-phenylpyridine?
The InChIKey is WMVUSQDTQZILRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-9-6-7-13-11(14(15)16)10(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-2-nitro-3-phenylpyridine?
4-chloro-2-nitro-3-phenylpyridine has a molecular weight of 234.64 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-3-phenylpyridine is sourced from PubChem (CID 118850926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).