2-(2-chloro-5-nitrophenyl)-5-methylpyridine

C12H9ClN2O2 — CID 66878225

IUPAC2-(2-chloro-5-nitrophenyl)-5-methylpyridine
SMILESCc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)nc1
InChIInChI=1S/C12H9ClN2O2/c1-8-2-5-12(14-7-8)10-6-9(15(16)17)3-4-11(10)13/h2-7H,1H3
InChIKeyQEBOQCFJKJNWNF-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.62
Rot. Bonds2

About 2-(2-chloro-5-nitrophenyl)-5-methylpyridine

2-(2-chloro-5-nitrophenyl)-5-methylpyridine (PubChem CID 66878225) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-(2-chloro-5-nitrophenyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-5-nitrophenyl)-5-methylpyridine
PubChem CID66878225
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-(2-chloro-5-nitrophenyl)-5-methylpyridine
SMILESCc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)nc1
InChIInChI=1S/C12H9ClN2O2/c1-8-2-5-12(14-7-8)10-6-9(15(16)17)3-4-11(10)13/h2-7H,1H3
InChIKeyQEBOQCFJKJNWNF-UHFFFAOYSA-N
XLogP3.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.62
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

1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
CID 44552298
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
6-bromo-2-(2-chloro-5-nitrophenyl)imidazo[1,2-a]pyrimidine
CID 90411524
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
2-(2-chloro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965126
5-(2-chloro-5-nitrophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 15957010
(4Z)-2-(2-chloro-5-nitrophenyl)-4-[(2,5-dimethylphenyl)methylidene]-1,3-oxazol-5-one
CID 19672098
3-(5-methyl-2-pyridinyl)-5-nitrobenzoic acid
CID 90329551
1-chloro-4-nitro-2-propan-2-ylbenzene
CID 21051004
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitrophenyl)-5-methylpyridine?
The IUPAC name of 2-(2-chloro-5-nitrophenyl)-5-methylpyridine (CID 66878225) is 2-(2-chloro-5-nitrophenyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-chloro-5-nitrophenyl)-5-methylpyridine?
The canonical SMILES for 2-(2-chloro-5-nitrophenyl)-5-methylpyridine is Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)nc1.
What is the InChIKey of 2-(2-chloro-5-nitrophenyl)-5-methylpyridine?
The InChIKey is QEBOQCFJKJNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-8-2-5-12(14-7-8)10-6-9(15(16)17)3-4-11(10)13/h2-7H,1H3.
What are the key properties of 2-(2-chloro-5-nitrophenyl)-5-methylpyridine?
2-(2-chloro-5-nitrophenyl)-5-methylpyridine has a molecular weight of 248.67 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitrophenyl)-5-methylpyridine is sourced from PubChem (CID 66878225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).