2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine

C17H11ClN4 — CID 163952628

IUPAC2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine
SMILESClc1ccc2ncc(C3=C(c4cccnc4)N=CC3)cc2n1
InChIInChI=1S/C17H11ClN4/c18-16-4-3-14-15(22-16)8-12(10-21-14)13-5-7-20-17(13)11-2-1-6-19-9-11/h1-4,6-10H,5H2
InChIKeySAQHFNYGSBGRFM-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine

2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine (PubChem CID 163952628) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine
PubChem CID163952628
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine
SMILESClc1ccc2ncc(C3=C(c4cccnc4)N=CC3)cc2n1
InChIInChI=1S/C17H11ClN4/c18-16-4-3-14-15(22-16)8-12(10-21-14)13-5-7-20-17(13)11-2-1-6-19-9-11/h1-4,6-10H,5H2
InChIKeySAQHFNYGSBGRFM-UHFFFAOYSA-N
XLogP4.02
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
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 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine (CID 163952628) is 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine is Clc1ccc2ncc(C3=C(c4cccnc4)N=CC3)cc2n1.
What is the InChIKey of 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine?
The InChIKey is SAQHFNYGSBGRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-16-4-3-14-15(22-16)8-12(10-21-14)13-5-7-20-17(13)11-2-1-6-19-9-11/h1-4,6-10H,5H2.
What are the key properties of 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine?
2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine has a molecular weight of 306.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(5-pyridin-3-yl-3H-pyrrol-4-yl)-1,5-naphthyridine is sourced from PubChem (CID 163952628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).