3-chloro-5-iodopyridine-2-carbonitrile

C6H2ClIN2 — CID 133059354

IUPAC3-chloro-5-iodopyridine-2-carbonitrile
SMILESN#Cc1ncc(I)cc1Cl
InChIInChI=1S/C6H2ClIN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H
InChIKeyVGUKFTKIOSEOIC-UHFFFAOYSA-N
MW264.45 g/mol
LogP2.21
Rot. Bonds

About 3-chloro-5-iodopyridine-2-carbonitrile

3-chloro-5-iodopyridine-2-carbonitrile (PubChem CID 133059354) has the molecular formula C6H2ClIN2 and a molecular weight of 264.45 g/mol. Its IUPAC name is 3-chloro-5-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-iodopyridine-2-carbonitrile
PubChem CID133059354
Molecular FormulaC6H2ClIN2
Molecular Weight264.45 g/mol
Exact Mass263.90
IUPAC Name3-chloro-5-iodopyridine-2-carbonitrile
SMILESN#Cc1ncc(I)cc1Cl
InChIInChI=1S/C6H2ClIN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H
InChIKeyVGUKFTKIOSEOIC-UHFFFAOYSA-N
XLogP2.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-5-iodopyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(1-sulfanylethyl)pyridine-2-carbonitrile
CID 143518449
3-chloro-5-prop-1-enylpyridine-2-carbonitrile
CID 66893385
3-chloro-5-(2-phenylethenyl)pyridine-2-carbonitrile
CID 66875240
5-chloro-6-ethynylpyridine-3-carbonitrile
CID 122241554
5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
CID 164600664
2-chloro-5-iodopyridin-3-amine;2,3-dichloro-5-iodopyridine
CID 159828457
3-chloro-5-[5-(4-cyanophenyl)hexan-2-yl]pyridine-2-carbonitrile
CID 146606523
3-chloro-5-[(E)-3-methoxyprop-1-enyl]pyridine-2-carbonitrile;3,5-dichloropyridine-2-carbonitrile
CID 161077199
3-(aminomethyl)-5-chloropyridine-2-carbonitrile
CID 122605010
3-chloro-5-[2-(1H-indol-5-yl)ethynyl]pyridine-2-carbonitrile
CID 66892311
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133095168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-iodopyridine-2-carbonitrile?
The IUPAC name of 3-chloro-5-iodopyridine-2-carbonitrile (CID 133059354) is 3-chloro-5-iodopyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-iodopyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-iodopyridine-2-carbonitrile is N#Cc1ncc(I)cc1Cl.
What is the InChIKey of 3-chloro-5-iodopyridine-2-carbonitrile?
The InChIKey is VGUKFTKIOSEOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClIN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H.
What are the key properties of 3-chloro-5-iodopyridine-2-carbonitrile?
3-chloro-5-iodopyridine-2-carbonitrile has a molecular weight of 264.45 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodopyridine-2-carbonitrile is sourced from PubChem (CID 133059354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).