2-chloro-5-methoxy-1,8-naphthyridine

C9H7ClN2O — CID 84665756

IUPAC2-chloro-5-methoxy-1,8-naphthyridine
SMILESCOc1ccnc2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O/c1-13-7-4-5-11-9-6(7)2-3-8(10)12-9/h2-5H,1H3
InChIKeyPECOTGKFWXKSNH-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.29
Rot. Bonds1

About 2-chloro-5-methoxy-1,8-naphthyridine

2-chloro-5-methoxy-1,8-naphthyridine (PubChem CID 84665756) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1,8-naphthyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-1,8-naphthyridine
PubChem CID84665756
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-5-methoxy-1,8-naphthyridine
SMILESCOc1ccnc2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O/c1-13-7-4-5-11-9-6(7)2-3-8(10)12-9/h2-5H,1H3
InChIKeyPECOTGKFWXKSNH-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-1,8-naphthyridine
CID 15588316
2-chloro-5,6-dimethoxyquinoline
CID 146155196
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
2-chloro-4-methoxythieno[2,3-b]pyridine
CID 70300458
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
4-methoxy-8-methylquinolin-7-ol
CID 143166925
4,7-dimethoxyquinoline
CID 20743716
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-chloro-7-fluoro-5-methoxyquinoline
CID 154577051
methane;4,6,7-trimethoxyquinoline
CID 157066291
3,4-dimethoxypyridine-2-sulfonyl chloride
CID 141469217
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
CID 18674967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-1,8-naphthyridine?
The IUPAC name of 2-chloro-5-methoxy-1,8-naphthyridine (CID 84665756) is 2-chloro-5-methoxy-1,8-naphthyridine.
What is the SMILES notation for 2-chloro-5-methoxy-1,8-naphthyridine?
The canonical SMILES for 2-chloro-5-methoxy-1,8-naphthyridine is COc1ccnc2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-5-methoxy-1,8-naphthyridine?
The InChIKey is PECOTGKFWXKSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-13-7-4-5-11-9-6(7)2-3-8(10)12-9/h2-5H,1H3.
What are the key properties of 2-chloro-5-methoxy-1,8-naphthyridine?
2-chloro-5-methoxy-1,8-naphthyridine has a molecular weight of 194.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1,8-naphthyridine is sourced from PubChem (CID 84665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).