1-chloro-7-methyl-2,4-dinitronaphthalene

C11H7ClN2O4 — CID 165356913

IUPAC1-chloro-7-methyl-2,4-dinitronaphthalene
SMILESCc1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H7ClN2O4/c1-6-2-3-7-8(4-6)11(12)10(14(17)18)5-9(7)13(15)16/h2-5H,1H3
InChIKeyFILBYNJZEKVTJL-UHFFFAOYSA-N
MW266.64 g/mol
LogP3.62
Rot. Bonds2

About 1-chloro-7-methyl-2,4-dinitronaphthalene

1-chloro-7-methyl-2,4-dinitronaphthalene (PubChem CID 165356913) has the molecular formula C11H7ClN2O4 and a molecular weight of 266.64 g/mol. Its IUPAC name is 1-chloro-7-methyl-2,4-dinitronaphthalene.

Molecular Properties

Compound Name1-chloro-7-methyl-2,4-dinitronaphthalene
PubChem CID165356913
Molecular FormulaC11H7ClN2O4
Molecular Weight266.64 g/mol
Exact Mass266.01
IUPAC Name1-chloro-7-methyl-2,4-dinitronaphthalene
SMILESCc1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H7ClN2O4/c1-6-2-3-7-8(4-6)11(12)10(14(17)18)5-9(7)13(15)16/h2-5H,1H3
InChIKeyFILBYNJZEKVTJL-UHFFFAOYSA-N
XLogP3.62
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 53.62
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

2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
1,4-dimethyl-2-nitrobenzene
CID 20849377
4-methyl-2-nitrophenolate
CID 6989903
1,2-dichloro-4-nitronaphthalene
CID 154116604
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
sodium 4-methyl-2-nitrophenolate
CID 12989561
4-chloro-2-methyl-3,5-dinitrobenzonitrile
CID 20563860
N-chloro-5-methyl-2-nitroaniline
CID 13272651
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methyl-2,4-dinitronaphthalene?
The IUPAC name of 1-chloro-7-methyl-2,4-dinitronaphthalene (CID 165356913) is 1-chloro-7-methyl-2,4-dinitronaphthalene.
What is the SMILES notation for 1-chloro-7-methyl-2,4-dinitronaphthalene?
The canonical SMILES for 1-chloro-7-methyl-2,4-dinitronaphthalene is Cc1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methyl-2,4-dinitronaphthalene?
The InChIKey is FILBYNJZEKVTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4/c1-6-2-3-7-8(4-6)11(12)10(14(17)18)5-9(7)13(15)16/h2-5H,1H3.
What are the key properties of 1-chloro-7-methyl-2,4-dinitronaphthalene?
1-chloro-7-methyl-2,4-dinitronaphthalene has a molecular weight of 266.64 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methyl-2,4-dinitronaphthalene is sourced from PubChem (CID 165356913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).