5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile

C12H8N2O3 — CID 2992476

IUPAC5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)o1
InChIInChI=1S/C12H8N2O3/c1-8-2-3-9(14(15)16)6-11(8)12-5-4-10(7-13)17-12/h2-6H,1H3
InChIKeyQMCZWCRHLOQVID-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.03
Rot. Bonds2

About 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile

5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile (PubChem CID 2992476) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile
PubChem CID2992476
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)o1
InChIInChI=1S/C12H8N2O3/c1-8-2-3-9(14(15)16)6-11(8)12-5-4-10(7-13)17-12/h2-6H,1H3
InChIKeyQMCZWCRHLOQVID-UHFFFAOYSA-N
XLogP3.03
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800283
5-(4-methyl-2-nitrophenyl)furan-2-carbonitrile
CID 947560
5-(5-chloro-2-methylphenyl)furan-2-carbonitrile
CID 82113987
(E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 800289
(E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374787
(E)-4-[5-(2-methyl-5-nitrophenyl)furan-2-yl]but-3-en-2-one
CID 50884965
2-(4-bromophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2978223
prop-2-ynyl 5-(2-methyl-5-nitrophenyl)furan-2-carboxylate
CID 95911131
ethyl (E)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
CID 800286
(5Z)-1-ethyl-4-methyl-5-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile
CID 50885716
2-(2-methyl-5-nitrophenyl)thiophene
CID 57000344
2-(2-fluorophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 5024762

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile?
The IUPAC name of 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile (CID 2992476) is 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile?
The canonical SMILES for 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile is Cc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)o1.
What is the InChIKey of 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile?
The InChIKey is QMCZWCRHLOQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-8-2-3-9(14(15)16)6-11(8)12-5-4-10(7-13)17-12/h2-6H,1H3.
What are the key properties of 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile?
5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile has a molecular weight of 228.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile is sourced from PubChem (CID 2992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).