1-chloro-4-iodo-2,6-naphthyridine

C8H4ClIN2 — CID 135397215

IUPAC1-chloro-4-iodo-2,6-naphthyridine
SMILESClc1ncc(I)c2cnccc12
InChIInChI=1S/C8H4ClIN2/c9-8-5-1-2-11-3-6(5)7(10)4-12-8/h1-4H
InChIKeyWEGBWLBWEGRINM-UHFFFAOYSA-N
MW290.49 g/mol
LogP2.89
Rot. Bonds

About 1-chloro-4-iodo-2,6-naphthyridine

1-chloro-4-iodo-2,6-naphthyridine (PubChem CID 135397215) has the molecular formula C8H4ClIN2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-chloro-4-iodo-2,6-naphthyridine.

Molecular Properties

Compound Name1-chloro-4-iodo-2,6-naphthyridine
PubChem CID135397215
Molecular FormulaC8H4ClIN2
Molecular Weight290.49 g/mol
Exact Mass289.91
IUPAC Name1-chloro-4-iodo-2,6-naphthyridine
SMILESClc1ncc(I)c2cnccc12
InChIInChI=1S/C8H4ClIN2/c9-8-5-1-2-11-3-6(5)7(10)4-12-8/h1-4H
InChIKeyWEGBWLBWEGRINM-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloropyrido[4,3-d]pyrimidine
CID 22677778
4-chloropyrido[3,4-d]pyrimidine;hydrochloride
CID 73012788
7-chloro-8-iodoisoquinoline
CID 142740347
4-chloro-2,7-naphthyridin-1-amine
CID 71721041
4-chloro-1-methyl-2,6-naphthyridine
CID 177329446
1-chloro-5-iodo-6-methylisoquinoline
CID 58466468
2-chloro-3-iodo-1H-pyrrolo[2,3-c]pyridine
CID 175128278
4-iodopyrido[3,4-d]pyrimidine
CID 88934330
8-chloroisoquinolin-5-amine
CID 53421157
8-chloro-5-fluoroisoquinoline
CID 124707448
4-iodopyrido[4,3-d]pyrimidine
CID 88934329
4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
CID 66292658

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-iodo-2,6-naphthyridine?
The IUPAC name of 1-chloro-4-iodo-2,6-naphthyridine (CID 135397215) is 1-chloro-4-iodo-2,6-naphthyridine.
What is the SMILES notation for 1-chloro-4-iodo-2,6-naphthyridine?
The canonical SMILES for 1-chloro-4-iodo-2,6-naphthyridine is Clc1ncc(I)c2cnccc12.
What is the InChIKey of 1-chloro-4-iodo-2,6-naphthyridine?
The InChIKey is WEGBWLBWEGRINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2/c9-8-5-1-2-11-3-6(5)7(10)4-12-8/h1-4H.
What are the key properties of 1-chloro-4-iodo-2,6-naphthyridine?
1-chloro-4-iodo-2,6-naphthyridine has a molecular weight of 290.49 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-iodo-2,6-naphthyridine is sourced from PubChem (CID 135397215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).