8-chloro-6-iodoquinoline-2-carbonitrile

C10H4ClIN2 — CID 107608577

IUPAC8-chloro-6-iodoquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(I)cc(Cl)c2n1
InChIInChI=1S/C10H4ClIN2/c11-9-4-7(12)3-6-1-2-8(5-13)14-10(6)9/h1-4H
InChIKeyNXDYNFWIRBOXHR-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.36
Rot. Bonds

About 8-chloro-6-iodoquinoline-2-carbonitrile

8-chloro-6-iodoquinoline-2-carbonitrile (PubChem CID 107608577) has the molecular formula C10H4ClIN2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 8-chloro-6-iodoquinoline-2-carbonitrile.

Molecular Properties

Compound Name8-chloro-6-iodoquinoline-2-carbonitrile
PubChem CID107608577
Molecular FormulaC10H4ClIN2
Molecular Weight314.51 g/mol
Exact Mass313.91
IUPAC Name8-chloro-6-iodoquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(I)cc(Cl)c2n1
InChIInChI=1S/C10H4ClIN2/c11-9-4-7(12)3-6-1-2-8(5-13)14-10(6)9/h1-4H
InChIKeyNXDYNFWIRBOXHR-UHFFFAOYSA-N
XLogP3.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
6,7,8-trifluoroquinoline-2-carbonitrile
CID 82241514
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
8-chloro-6-iodo-N-propylquinolin-2-amine
CID 107608062
6-amino-5-chloropyridine-2-carbonitrile
CID 121227574
6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096229
4,7,8-trichloroquinoline-2-carbonitrile
CID 146674031
6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
6,8-dichloro-4-methylquinoline-2-carbonitrile
CID 82573278
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
CID 134630402
2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 123135397
5-amino-6-(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133096037

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-iodoquinoline-2-carbonitrile?
The IUPAC name of 8-chloro-6-iodoquinoline-2-carbonitrile (CID 107608577) is 8-chloro-6-iodoquinoline-2-carbonitrile.
What is the SMILES notation for 8-chloro-6-iodoquinoline-2-carbonitrile?
The canonical SMILES for 8-chloro-6-iodoquinoline-2-carbonitrile is N#Cc1ccc2cc(I)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-6-iodoquinoline-2-carbonitrile?
The InChIKey is NXDYNFWIRBOXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClIN2/c11-9-4-7(12)3-6-1-2-8(5-13)14-10(6)9/h1-4H.
What are the key properties of 8-chloro-6-iodoquinoline-2-carbonitrile?
8-chloro-6-iodoquinoline-2-carbonitrile has a molecular weight of 314.51 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-iodoquinoline-2-carbonitrile is sourced from PubChem (CID 107608577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).