3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile

C12H7ClIN3 — CID 107056883

IUPAC3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C12H7ClIN3/c13-11-8(7-15)5-6-16-12(11)17-10-3-1-9(14)2-4-10/h1-6H,(H,16,17)
InChIKeyRBGNGHXRAWDODV-UHFFFAOYSA-N
MW355.57 g/mol
LogP3.95
Rot. Bonds2

About 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile

3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile (PubChem CID 107056883) has the molecular formula C12H7ClIN3 and a molecular weight of 355.57 g/mol. Its IUPAC name is 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
PubChem CID107056883
Molecular FormulaC12H7ClIN3
Molecular Weight355.57 g/mol
Exact Mass354.94
IUPAC Name3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2ccc(I)cc2)c1Cl
InChIInChI=1S/C12H7ClIN3/c13-11-8(7-15)5-6-16-12(11)17-10-3-1-9(14)2-4-10/h1-6H,(H,16,17)
InChIKeyRBGNGHXRAWDODV-UHFFFAOYSA-N
XLogP3.95
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
2-chloro-5-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056312
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789
2-(4-iodoanilino)-4-methoxypyridine-3-carbonitrile
CID 1475645
3-chloro-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 107056708
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
CID 107057605
3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 114260120
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-chloro-4-[(3-chloro-4-cyano-2-pyridinyl)amino]benzoic acid
CID 107056434
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile (CID 107056883) is 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile is N#Cc1ccnc(Nc2ccc(I)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile?
The InChIKey is RBGNGHXRAWDODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClIN3/c13-11-8(7-15)5-6-16-12(11)17-10-3-1-9(14)2-4-10/h1-6H,(H,16,17).
What are the key properties of 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile?
3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile has a molecular weight of 355.57 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-iodoanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).