(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine

C11H11ClN4 — CID 90288781

IUPAC(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine
SMILESN/C=C(\CN)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C11H11ClN4/c12-11-2-1-9-10(16-11)3-7(6-15-9)8(4-13)5-14/h1-4,6H,5,13-14H2/b8-4+
InChIKeyWJECCXKVTBLHET-XBXARRHUSA-N
MW234.69 g/mol
LogP1.54
Rot. Bonds2

About (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine

(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine (PubChem CID 90288781) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine
PubChem CID90288781
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine
SMILESN/C=C(\CN)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C11H11ClN4/c12-11-2-1-9-10(16-11)3-7(6-15-9)8(4-13)5-14/h1-4,6H,5,13-14H2/b8-4+
InChIKeyWJECCXKVTBLHET-XBXARRHUSA-N
XLogP1.54
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine (CID 90288781) is (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine is N/C=C(\CN)c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine?
The InChIKey is WJECCXKVTBLHET-XBXARRHUSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-11-2-1-9-10(16-11)3-7(6-15-9)8(4-13)5-14/h1-4,6H,5,13-14H2/b8-4+.
What are the key properties of (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine?
(Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine has a molecular weight of 234.69 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 90288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).