6-chloronaphthalene-1,4-diamine

C10H9ClN2 — CID 21424529

IUPAC6-chloronaphthalene-1,4-diamine
SMILESNc1ccc(N)c2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,12-13H2
InChIKeyLDUXUAQBQMIKCS-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.66
Rot. Bonds

About 6-chloronaphthalene-1,4-diamine

6-chloronaphthalene-1,4-diamine (PubChem CID 21424529) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 6-chloronaphthalene-1,4-diamine.

Molecular Properties

Compound Name6-chloronaphthalene-1,4-diamine
PubChem CID21424529
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name6-chloronaphthalene-1,4-diamine
SMILESNc1ccc(N)c2cc(Cl)ccc12
InChIInChI=1S/C10H9ClN2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,12-13H2
InChIKeyLDUXUAQBQMIKCS-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloronaphthalene-1,4-diamine?
The IUPAC name of 6-chloronaphthalene-1,4-diamine (CID 21424529) is 6-chloronaphthalene-1,4-diamine.
What is the SMILES notation for 6-chloronaphthalene-1,4-diamine?
The canonical SMILES for 6-chloronaphthalene-1,4-diamine is Nc1ccc(N)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloronaphthalene-1,4-diamine?
The InChIKey is LDUXUAQBQMIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H,12-13H2.
What are the key properties of 6-chloronaphthalene-1,4-diamine?
6-chloronaphthalene-1,4-diamine has a molecular weight of 192.65 g/mol, XLogP of 2.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloronaphthalene-1,4-diamine is sourced from PubChem (CID 21424529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).