1-chloro-3-nitronaphthalene

C10H6ClNO2 — CID 13462997

IUPAC1-chloro-3-nitronaphthalene
SMILESO=[N+]([O-])c1cc(Cl)c2ccccc2c1
InChIInChI=1S/C10H6ClNO2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H
InChIKeyLSACNADXSMNMJS-UHFFFAOYSA-N
MW207.62 g/mol
LogP3.40
Rot. Bonds1

About 1-chloro-3-nitronaphthalene

1-chloro-3-nitronaphthalene (PubChem CID 13462997) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 1-chloro-3-nitronaphthalene.

Molecular Properties

Compound Name1-chloro-3-nitronaphthalene
PubChem CID13462997
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name1-chloro-3-nitronaphthalene
SMILESO=[N+]([O-])c1cc(Cl)c2ccccc2c1
InChIInChI=1S/C10H6ClNO2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H
InChIKeyLSACNADXSMNMJS-UHFFFAOYSA-N
XLogP3.40
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 53.40
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

1-chloro-6-nitronaphthalene
CID 25003184
1-(bromomethyl)-3-nitronaphthalene
CID 12749181
1-chloro-3-nitro-9H-carbazole
CID 155673987
3-nitroanthracen-9-ol
CID 22457424
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
3-chloro-2-(2-chlorophenoxy)-5-nitrobenzoic acid
CID 107186652
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
[2-(2,6-dichloro-4-nitrophenoxy)phenyl]methanamine
CID 62099310
2-[2-(bromomethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088258
1,3-dichloro-5-nitro-2-(2-phenylsulfanylethoxy)benzene
CID 79406085

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-nitronaphthalene?
The IUPAC name of 1-chloro-3-nitronaphthalene (CID 13462997) is 1-chloro-3-nitronaphthalene.
What is the SMILES notation for 1-chloro-3-nitronaphthalene?
The canonical SMILES for 1-chloro-3-nitronaphthalene is O=[N+]([O-])c1cc(Cl)c2ccccc2c1.
What is the InChIKey of 1-chloro-3-nitronaphthalene?
The InChIKey is LSACNADXSMNMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-10-6-8(12(13)14)5-7-3-1-2-4-9(7)10/h1-6H.
What are the key properties of 1-chloro-3-nitronaphthalene?
1-chloro-3-nitronaphthalene has a molecular weight of 207.62 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-nitronaphthalene is sourced from PubChem (CID 13462997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).