3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile

C13H10IN3 — CID 114257435

IUPAC3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccnc2C#N)cc1I
InChIInChI=1S/C13H10IN3/c1-9-4-5-10(7-11(9)14)17-12-3-2-6-16-13(12)8-15/h2-7,17H,1H3
InChIKeyOONMUVZVIDKREG-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.61
Rot. Bonds2

About 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile

3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile (PubChem CID 114257435) has the molecular formula C13H10IN3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
PubChem CID114257435
Molecular FormulaC13H10IN3
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Name3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccnc2C#N)cc1I
InChIInChI=1S/C13H10IN3/c1-9-4-5-10(7-11(9)14)17-12-3-2-6-16-13(12)8-15/h2-7,17H,1H3
InChIKeyOONMUVZVIDKREG-UHFFFAOYSA-N
XLogP3.61
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.61
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

2-bromo-6-(3-iodo-4-methylanilino)benzonitrile
CID 114257443
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
2-(3-iodo-4-methylanilino)pyridine-3-carbothioamide
CID 114257497
3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 172624283
2-(3-iodo-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168610702
3-(but-3-yn-2-ylamino)pyridine-2-carbonitrile
CID 114417386
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
2-(3-bromo-4-methylanilino)benzonitrile
CID 63512186
2-[(2-cyano-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337732
2-N-(3-iodo-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 114257091
N-but-3-yn-2-yl-3-iodo-4-methylaniline
CID 130498087
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile (CID 114257435) is 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile is Cc1ccc(Nc2cccnc2C#N)cc1I.
What is the InChIKey of 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is OONMUVZVIDKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3/c1-9-4-5-10(7-11(9)14)17-12-3-2-6-16-13(12)8-15/h2-7,17H,1H3.
What are the key properties of 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile has a molecular weight of 335.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 114257435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).