3-(4-chloro-2-nitrophenyl)pyridine

C11H7ClN2O2 — CID 76852317

IUPAC3-(4-chloro-2-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1cccnc1
InChIInChI=1S/C11H7ClN2O2/c12-9-3-4-10(11(6-9)14(15)16)8-2-1-5-13-7-8/h1-7H
InChIKeyJPMRMCQRIKUNHJ-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.31
Rot. Bonds2

About 3-(4-chloro-2-nitrophenyl)pyridine

3-(4-chloro-2-nitrophenyl)pyridine (PubChem CID 76852317) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 3-(4-chloro-2-nitrophenyl)pyridine.

Molecular Properties

Compound Name3-(4-chloro-2-nitrophenyl)pyridine
PubChem CID76852317
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name3-(4-chloro-2-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1cccnc1
InChIInChI=1S/C11H7ClN2O2/c12-9-3-4-10(11(6-9)14(15)16)8-2-1-5-13-7-8/h1-7H
InChIKeyJPMRMCQRIKUNHJ-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-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434
3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155271804
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
2-chloro-3-nitro-6-pyridin-3-ylpyridine
CID 20550319
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
CID 174480206
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-chloro-2-nitrobenzoate
CID 36911130
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-chloro-2-nitrobenzoate
CID 46526124
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
ethyl 4-nitro-3-pyridin-3-ylbenzoate
CID 46317733

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-nitrophenyl)pyridine?
The IUPAC name of 3-(4-chloro-2-nitrophenyl)pyridine (CID 76852317) is 3-(4-chloro-2-nitrophenyl)pyridine.
What is the SMILES notation for 3-(4-chloro-2-nitrophenyl)pyridine?
The canonical SMILES for 3-(4-chloro-2-nitrophenyl)pyridine is O=[N+]([O-])c1cc(Cl)ccc1-c1cccnc1.
What is the InChIKey of 3-(4-chloro-2-nitrophenyl)pyridine?
The InChIKey is JPMRMCQRIKUNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-9-3-4-10(11(6-9)14(15)16)8-2-1-5-13-7-8/h1-7H.
What are the key properties of 3-(4-chloro-2-nitrophenyl)pyridine?
3-(4-chloro-2-nitrophenyl)pyridine 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 3-(4-chloro-2-nitrophenyl)pyridine is sourced from PubChem (CID 76852317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).