8-chloro-7-fluoro-6-iodoisoquinolin-3-amine

C9H5ClFIN2 — CID 135343187

IUPAC8-chloro-7-fluoro-6-iodoisoquinolin-3-amine
SMILESNc1cc2cc(I)c(F)c(Cl)c2cn1
InChIInChI=1S/C9H5ClFIN2/c10-8-5-3-14-7(13)2-4(5)1-6(12)9(8)11/h1-3H,(H2,13,14)
InChIKeyAFDSMFWTJZLLTD-UHFFFAOYSA-N
MW322.51 g/mol
LogP3.21
Rot. Bonds

About 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine

8-chloro-7-fluoro-6-iodoisoquinolin-3-amine (PubChem CID 135343187) has the molecular formula C9H5ClFIN2 and a molecular weight of 322.51 g/mol. Its IUPAC name is 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine.

Molecular Properties

Compound Name8-chloro-7-fluoro-6-iodoisoquinolin-3-amine
PubChem CID135343187
Molecular FormulaC9H5ClFIN2
Molecular Weight322.51 g/mol
Exact Mass321.92
IUPAC Name8-chloro-7-fluoro-6-iodoisoquinolin-3-amine
SMILESNc1cc2cc(I)c(F)c(Cl)c2cn1
InChIInChI=1S/C9H5ClFIN2/c10-8-5-3-14-7(13)2-4(5)1-6(12)9(8)11/h1-3H,(H2,13,14)
InChIKeyAFDSMFWTJZLLTD-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-chloro-6-(4,6-dimethyl-5-nitro-3-pyridinyl)-7-fluoroisoquinolin-3-amine
CID 135343670
tert-butyl N-[5-(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)-4-methyl-3-pyridinyl]-N-methylcarbamate
CID 146463818
2,6-naphthyridine-3,7-diamine
CID 141099373
5,6-difluoro-4-iodopyridin-2-amine
CID 159819691
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
5,8-difluoroisoquinolin-3-amine
CID 53418204
7-(3-amino-8-chloro-7-fluoroisoquinolin-6-yl)-3-(hydroxymethyl)-8-methyl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylic acid
CID 146463350
6-bromo-8-methylisoquinolin-3-amine
CID 58082294
2-chloro-3-fluoro-1,4-diiodobenzene
CID 118802327
3-chloro-6,7,8-trifluoroisoquinoline
CID 165442306
5,7-dichloroisoquinolin-3-amine
CID 53418201
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine?
The IUPAC name of 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine (CID 135343187) is 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine.
What is the SMILES notation for 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine?
The canonical SMILES for 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine is Nc1cc2cc(I)c(F)c(Cl)c2cn1.
What is the InChIKey of 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine?
The InChIKey is AFDSMFWTJZLLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFIN2/c10-8-5-3-14-7(13)2-4(5)1-6(12)9(8)11/h1-3H,(H2,13,14).
What are the key properties of 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine?
8-chloro-7-fluoro-6-iodoisoquinolin-3-amine has a molecular weight of 322.51 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-6-iodoisoquinolin-3-amine is sourced from PubChem (CID 135343187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).