1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine

C14H8ClN5O — CID 172600748

IUPAC1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine
SMILESClc1cc2c(On3nnc4ccccc43)nccc2cn1
InChIInChI=1S/C14H8ClN5O/c15-13-7-10-9(8-17-13)5-6-16-14(10)21-20-12-4-2-1-3-11(12)18-19-20/h1-8H
InChIKeyCQJNOKOHXAJCFZ-UHFFFAOYSA-N
MW297.71 g/mol
LogP2.87
Rot. Bonds2

About 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine

1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine (PubChem CID 172600748) has the molecular formula C14H8ClN5O and a molecular weight of 297.71 g/mol. Its IUPAC name is 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine.

Molecular Properties

Compound Name1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine
PubChem CID172600748
Molecular FormulaC14H8ClN5O
Molecular Weight297.71 g/mol
Exact Mass297.04
IUPAC Name1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine
SMILESClc1cc2c(On3nnc4ccccc43)nccc2cn1
InChIInChI=1S/C14H8ClN5O/c15-13-7-10-9(8-17-13)5-6-16-14(10)21-20-12-4-2-1-3-11(12)18-19-20/h1-8H
InChIKeyCQJNOKOHXAJCFZ-UHFFFAOYSA-N
XLogP2.87
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(benzotriazol-1-yloxy)pyrimidin-5-yl]oxybenzotriazole
CID 59246660
3-(benzotriazol-1-yloxy)-2-methylpyrido[3,4-b]pyrazine
CID 71295237
1-(4-methoxypyrimidin-2-yl)oxybenzotriazole
CID 67560438
2-(benzotriazol-1-yloxy)-5-bromopyrimidin-4-amine
CID 24750821
1-(7-bromo-6-methyl-8-pyrimidin-2-ylpyrrolo[1,2-a]pyrazin-1-yl)oxybenzotriazole
CID 171535724
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
methane;1-methoxybenzotriazole
CID 161160564
3,5-dichloroisoquinoline
CID 103351538
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
azanium 1-oxidobenzotriazole
CID 23118068
1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine?
The IUPAC name of 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine (CID 172600748) is 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine.
What is the SMILES notation for 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine?
The canonical SMILES for 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine is Clc1cc2c(On3nnc4ccccc43)nccc2cn1.
What is the InChIKey of 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine?
The InChIKey is CQJNOKOHXAJCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5O/c15-13-7-10-9(8-17-13)5-6-16-14(10)21-20-12-4-2-1-3-11(12)18-19-20/h1-8H.
What are the key properties of 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine?
1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine has a molecular weight of 297.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yloxy)-7-chloro-2,6-naphthyridine is sourced from PubChem (CID 172600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).