4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine

C17H12ClN3 — CID 10402159

IUPAC4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine
SMILESClc1nccc2c1C(c1cccnc1)Nc1ccccc1-2
InChIInChI=1S/C17H12ClN3/c18-17-15-13(7-9-20-17)12-5-1-2-6-14(12)21-16(15)11-4-3-8-19-10-11/h1-10,16,21H
InChIKeyACIYXVHDYHHLQT-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.31
Rot. Bonds1

About 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine

4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine (PubChem CID 10402159) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine
PubChem CID10402159
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine
SMILESClc1nccc2c1C(c1cccnc1)Nc1ccccc1-2
InChIInChI=1S/C17H12ClN3/c18-17-15-13(7-9-20-17)12-5-1-2-6-14(12)21-16(15)11-4-3-8-19-10-11/h1-10,16,21H
InChIKeyACIYXVHDYHHLQT-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine?
The IUPAC name of 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine (CID 10402159) is 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine.
What is the SMILES notation for 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine?
The canonical SMILES for 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine is Clc1nccc2c1C(c1cccnc1)Nc1ccccc1-2.
What is the InChIKey of 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine?
The InChIKey is ACIYXVHDYHHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-17-15-13(7-9-20-17)12-5-1-2-6-14(12)21-16(15)11-4-3-8-19-10-11/h1-10,16,21H.
What are the key properties of 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine?
4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine has a molecular weight of 293.76 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine is sourced from PubChem (CID 10402159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).