2-chloro-3-fluoro-6-methyl-7-nitronaphthalene

C11H7ClFNO2 — CID 21366735

IUPAC2-chloro-3-fluoro-6-methyl-7-nitronaphthalene
SMILESCc1cc2cc(F)c(Cl)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClFNO2/c1-6-2-7-4-10(13)9(12)3-8(7)5-11(6)14(15)16/h2-5H,1H3
InChIKeyLONVKBAJADVBBZ-UHFFFAOYSA-N
MW239.63 g/mol
LogP3.85
Rot. Bonds1

About 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene

2-chloro-3-fluoro-6-methyl-7-nitronaphthalene (PubChem CID 21366735) has the molecular formula C11H7ClFNO2 and a molecular weight of 239.63 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-methyl-7-nitronaphthalene
PubChem CID21366735
Molecular FormulaC11H7ClFNO2
Molecular Weight239.63 g/mol
Exact Mass239.01
IUPAC Name2-chloro-3-fluoro-6-methyl-7-nitronaphthalene
SMILESCc1cc2cc(F)c(Cl)cc2cc1[N+](=O)[O-]
InChIInChI=1S/C11H7ClFNO2/c1-6-2-7-4-10(13)9(12)3-8(7)5-11(6)14(15)16/h2-5H,1H3
InChIKeyLONVKBAJADVBBZ-UHFFFAOYSA-N
XLogP3.85
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
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2-fluoro-4-methyl-5-nitrobenzonitrile
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2-chloro-N,4-dimethyl-5-nitroaniline
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4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
CID 114416597
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
(2-fluoro-4-methyl-5-nitrophenyl)methanamine
CID 131056315
1-chloro-4-methyl-2-nitro-5-(trifluoromethyl)benzene
CID 91757389
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene?
The IUPAC name of 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene (CID 21366735) is 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene.
What is the SMILES notation for 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene?
The canonical SMILES for 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene is Cc1cc2cc(F)c(Cl)cc2cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene?
The InChIKey is LONVKBAJADVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2/c1-6-2-7-4-10(13)9(12)3-8(7)5-11(6)14(15)16/h2-5H,1H3.
What are the key properties of 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene?
2-chloro-3-fluoro-6-methyl-7-nitronaphthalene has a molecular weight of 239.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-6-methyl-7-nitronaphthalene is sourced from PubChem (CID 21366735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).