8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile

C10H6ClIN4 — CID 107607945

IUPAC8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(I)cc2c1NN
InChIInChI=1S/C10H6ClIN4/c11-8-2-6(12)1-7-9(16-14)5(3-13)4-15-10(7)8/h1-2,4H,14H2,(H,15,16)
InChIKeyWDHQJQQZBORYFL-UHFFFAOYSA-N
MW344.54 g/mol
LogP2.65
Rot. Bonds1

About 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile

8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile (PubChem CID 107607945) has the molecular formula C10H6ClIN4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
PubChem CID107607945
Molecular FormulaC10H6ClIN4
Molecular Weight344.54 g/mol
Exact Mass343.93
IUPAC Name8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(I)cc2c1NN
InChIInChI=1S/C10H6ClIN4/c11-8-2-6(12)1-7-9(16-14)5(3-13)4-15-10(7)8/h1-2,4H,14H2,(H,15,16)
InChIKeyWDHQJQQZBORYFL-UHFFFAOYSA-N
XLogP2.65
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-8-fluoro-4-hydrazinylquinoline-3-carbonitrile
CID 62251972
6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
CID 141161285
6-amino-8-chloro-4-(3-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 170984882
5,6,8-trichloro-4-(ethylamino)quinoline-3-carbonitrile
CID 55045004
6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
CID 145229955
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
5-bromo-6-fluoro-4-hydrazinyl-8-methylquinoline-3-carbonitrile
CID 107594066
3-chloro-5-iodopyridine-2-carbonitrile
CID 133059354
4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
CID 102941564
4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile
CID 154016896
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile?
The IUPAC name of 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile (CID 107607945) is 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile.
What is the SMILES notation for 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile?
The canonical SMILES for 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(I)cc2c1NN.
What is the InChIKey of 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile?
The InChIKey is WDHQJQQZBORYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN4/c11-8-2-6(12)1-7-9(16-14)5(3-13)4-15-10(7)8/h1-2,4H,14H2,(H,15,16).
What are the key properties of 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile?
8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile has a molecular weight of 344.54 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile is sourced from PubChem (CID 107607945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).