dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine

C10H11Cl2N3Zn — CID 70611232

IUPACdichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine
SMILESCc1cc(C)c2ccc(N)nc2n1.Cl[Zn]Cl
InChIInChI=1S/C10H11N3.2ClH.Zn/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10;;;/h3-5H,1-2H3,(H2,11,12,13);2*1H;/q;;;+2/p-2
InChIKeyPPVOWCRPRFDVTE-UHFFFAOYSA-L
MW309.52 g/mol
LogP3.21
Rot. Bonds

About dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine

dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine (PubChem CID 70611232) has the molecular formula C10H11Cl2N3Zn and a molecular weight of 309.52 g/mol. Its IUPAC name is dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Namedichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine
PubChem CID70611232
Molecular FormulaC10H11Cl2N3Zn
Molecular Weight309.52 g/mol
Exact Mass306.96
IUPAC Namedichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine
SMILESCc1cc(C)c2ccc(N)nc2n1.Cl[Zn]Cl
InChIInChI=1S/C10H11N3.2ClH.Zn/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10;;;/h3-5H,1-2H3,(H2,11,12,13);2*1H;/q;;;+2/p-2
InChIKeyPPVOWCRPRFDVTE-UHFFFAOYSA-L
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine?
The IUPAC name of dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine (CID 70611232) is dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine?
The canonical SMILES for dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine is Cc1cc(C)c2ccc(N)nc2n1.Cl[Zn]Cl.
What is the InChIKey of dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine?
The InChIKey is PPVOWCRPRFDVTE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11N3.2ClH.Zn/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10;;;/h3-5H,1-2H3,(H2,11,12,13);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine?
dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine has a molecular weight of 309.52 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;5,7-dimethyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 70611232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).