3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride

C15H13Cl2N3 — CID 139370357

IUPAC3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(Cl)c3ccccc23)c(N)n1
InChIInChI=1S/C15H12ClN3.ClH/c16-13-7-5-10(9-3-1-2-4-11(9)13)12-6-8-14(17)19-15(12)18;/h1-8H,(H4,17,18,19);1H
InChIKeyVAIUNSYBNPHCFH-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.14
Rot. Bonds1

About 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride

3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride (PubChem CID 139370357) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
PubChem CID139370357
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(Cl)c3ccccc23)c(N)n1
InChIInChI=1S/C15H12ClN3.ClH/c16-13-7-5-10(9-3-1-2-4-11(9)13)12-6-8-14(17)19-15(12)18;/h1-8H,(H4,17,18,19);1H
InChIKeyVAIUNSYBNPHCFH-UHFFFAOYSA-N
XLogP4.14
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride (CID 139370357) is 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride is Cl.Nc1ccc(-c2ccc(Cl)c3ccccc23)c(N)n1.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride?
The InChIKey is VAIUNSYBNPHCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3.ClH/c16-13-7-5-10(9-3-1-2-4-11(9)13)12-6-8-14(17)19-15(12)18;/h1-8H,(H4,17,18,19);1H.
What are the key properties of 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride?
3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride has a molecular weight of 306.20 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)pyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 139370357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).