3-nitronaphthalene-1,7-diamine

C10H9N3O2 — CID 142394174

IUPAC3-nitronaphthalene-1,7-diamine
SMILESNc1ccc2cc([N+](=O)[O-])cc(N)c2c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-6-3-8(13(14)15)5-10(12)9(6)4-7/h1-5H,11-12H2
InChIKeyHPVQTGXJVVQMTC-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.91
Rot. Bonds1

About 3-nitronaphthalene-1,7-diamine

3-nitronaphthalene-1,7-diamine (PubChem CID 142394174) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-nitronaphthalene-1,7-diamine.

Molecular Properties

Compound Name3-nitronaphthalene-1,7-diamine
PubChem CID142394174
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-nitronaphthalene-1,7-diamine
SMILESNc1ccc2cc([N+](=O)[O-])cc(N)c2c1
InChIInChI=1S/C10H9N3O2/c11-7-2-1-6-3-8(13(14)15)5-10(12)9(6)4-7/h1-5H,11-12H2
InChIKeyHPVQTGXJVVQMTC-UHFFFAOYSA-N
XLogP1.91
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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CID 101022943
6-nitro-9H-carbazol-3-amine
CID 175861785
isoquinolin-7-amine;7-nitroisoquinoline
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3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
naphthalene-1,2,7-triamine
CID 19078044
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
2-methylbenzene-1,4-diamine;nitrobenzene
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2-[3-[1-[2-[3-(2-amino-5-nitrophenoxy)propoxy]-6-methoxynaphthalen-1-yl]-6-methoxynaphthalen-2-yl]oxypropoxy]benzene-1,4-diamine
CID 143535451
2-methyl-6-nitro-1-benzofuran-4-amine
CID 23009702
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CID 175091269
1-chloro-3-nitronaphthalene
CID 13462997

Frequently Asked Questions

What is the IUPAC name of 3-nitronaphthalene-1,7-diamine?
The IUPAC name of 3-nitronaphthalene-1,7-diamine (CID 142394174) is 3-nitronaphthalene-1,7-diamine.
What is the SMILES notation for 3-nitronaphthalene-1,7-diamine?
The canonical SMILES for 3-nitronaphthalene-1,7-diamine is Nc1ccc2cc([N+](=O)[O-])cc(N)c2c1.
What is the InChIKey of 3-nitronaphthalene-1,7-diamine?
The InChIKey is HPVQTGXJVVQMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-7-2-1-6-3-8(13(14)15)5-10(12)9(6)4-7/h1-5H,11-12H2.
What are the key properties of 3-nitronaphthalene-1,7-diamine?
3-nitronaphthalene-1,7-diamine has a molecular weight of 203.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitronaphthalene-1,7-diamine is sourced from PubChem (CID 142394174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).