2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine

C23H18N2O2 — CID 58234804

IUPAC2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1-c1cccc(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C23H18N2O2/c1-15-10-11-19(25(26)27)14-21(15)23-9-5-8-22(24-23)20-13-18-7-4-3-6-17(18)12-16(20)2/h3-14H,1-2H3
InChIKeyOFOPRHIHBONWKW-UHFFFAOYSA-N
MW354.41 g/mol
LogP6.09
Rot. Bonds3

About 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine

2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine (PubChem CID 58234804) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine
PubChem CID58234804
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1-c1cccc(-c2cc3ccccc3cc2C)n1
InChIInChI=1S/C23H18N2O2/c1-15-10-11-19(25(26)27)14-21(15)23-9-5-8-22(24-23)20-13-18-7-4-3-6-17(18)12-16(20)2/h3-14H,1-2H3
InChIKeyOFOPRHIHBONWKW-UHFFFAOYSA-N
XLogP6.09
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 56.09
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

8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
CID 624082
3-[4-(3,5-ditert-butylphenyl)-6-(2-methyl-5-nitrophenyl)-2-pyridinyl]isoquinoline
CID 58234792
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
2-iodo-5-(2-methyl-5-nitrophenyl)-1,3,4-thiadiazole
CID 63383926
2-(2-methyl-5-nitrophenyl)thiophene
CID 57000344
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762
2-(2-methyl-4-nitrophenyl)sulfanylnaphthalene
CID 143108301

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine?
The IUPAC name of 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine (CID 58234804) is 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine.
What is the SMILES notation for 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine?
The canonical SMILES for 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine is Cc1ccc([N+](=O)[O-])cc1-c1cccc(-c2cc3ccccc3cc2C)n1.
What is the InChIKey of 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine?
The InChIKey is OFOPRHIHBONWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-15-10-11-19(25(26)27)14-21(15)23-9-5-8-22(24-23)20-13-18-7-4-3-6-17(18)12-16(20)2/h3-14H,1-2H3.
What are the key properties of 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine?
2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine has a molecular weight of 354.41 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylnaphthalen-2-yl)-6-(2-methyl-5-nitrophenyl)pyridine is sourced from PubChem (CID 58234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).