7-chloro-8-iodoisoquinoline

C9H5ClIN — CID 142740347

IUPAC7-chloro-8-iodoisoquinoline
SMILESClc1ccc2ccncc2c1I
InChIInChI=1S/C9H5ClIN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H
InChIKeyRQSMKMGRJIXIMI-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.49
Rot. Bonds

About 7-chloro-8-iodoisoquinoline

7-chloro-8-iodoisoquinoline (PubChem CID 142740347) has the molecular formula C9H5ClIN and a molecular weight of 289.50 g/mol. Its IUPAC name is 7-chloro-8-iodoisoquinoline.

Molecular Properties

Compound Name7-chloro-8-iodoisoquinoline
PubChem CID142740347
Molecular FormulaC9H5ClIN
Molecular Weight289.50 g/mol
Exact Mass288.92
IUPAC Name7-chloro-8-iodoisoquinoline
SMILESClc1ccc2ccncc2c1I
InChIInChI=1S/C9H5ClIN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H
InChIKeyRQSMKMGRJIXIMI-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,9-phenanthroline
CID 23271029
7-chloro-8-(trifluoromethyl)isoquinoline
CID 21393820
(6-chloroisoquinolin-5-yl)methanamine
CID 82573572
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
pyrido[3,4-f]phthalazine
CID 122577314
(8-chloroisoquinolin-5-yl)methanamine
CID 82573574
6-chloroisoquinolin-5-ol
CID 115015519
8-chloroisoquinolin-5-amine
CID 53421157
8-chloro-5-fluoroisoquinoline
CID 124707448
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-chloro-4-iodo-2,6-naphthyridine
CID 135397215
1H-pyrrolo[3,2-h]isoquinoline
CID 22622222

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-iodoisoquinoline?
The IUPAC name of 7-chloro-8-iodoisoquinoline (CID 142740347) is 7-chloro-8-iodoisoquinoline.
What is the SMILES notation for 7-chloro-8-iodoisoquinoline?
The canonical SMILES for 7-chloro-8-iodoisoquinoline is Clc1ccc2ccncc2c1I.
What is the InChIKey of 7-chloro-8-iodoisoquinoline?
The InChIKey is RQSMKMGRJIXIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClIN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-5H.
What are the key properties of 7-chloro-8-iodoisoquinoline?
7-chloro-8-iodoisoquinoline has a molecular weight of 289.50 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-iodoisoquinoline is sourced from PubChem (CID 142740347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).