(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine

C20H14N2O2 — CID 696191

IUPAC(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1-2
InChIInChI=1S/C20H14N2O2/c1-13-4-9-17-18(11-13)19(16-3-2-10-21-20(16)17)12-14-5-7-15(8-6-14)22(23)24/h2-12H,1H3/b19-12+
InChIKeyKZPCURLZGJIFOD-XDHOZWIPSA-N
MW314.34 g/mol
LogP4.87
Rot. Bonds2

About (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine

(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine (PubChem CID 696191) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine
PubChem CID696191
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine
SMILESCc1ccc2c(c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1-2
InChIInChI=1S/C20H14N2O2/c1-13-4-9-17-18(11-13)19(16-3-2-10-21-20(16)17)12-14-5-7-15(8-6-14)22(23)24/h2-12H,1H3/b19-12+
InChIKeyKZPCURLZGJIFOD-XDHOZWIPSA-N
XLogP4.87
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.87
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine?
The IUPAC name of (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine (CID 696191) is (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine.
What is the SMILES notation for (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine?
The canonical SMILES for (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine is Cc1ccc2c(c1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1cccnc1-2.
What is the InChIKey of (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine?
The InChIKey is KZPCURLZGJIFOD-XDHOZWIPSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-13-4-9-17-18(11-13)19(16-3-2-10-21-20(16)17)12-14-5-7-15(8-6-14)22(23)24/h2-12H,1H3/b19-12+.
What are the key properties of (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine?
(5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine has a molecular weight of 314.34 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-methyl-5-[(4-nitrophenyl)methylidene]indeno[1,2-b]pyridine is sourced from PubChem (CID 696191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).