6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile

C13H10IN3 — CID 114257431

IUPAC6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccc(C#N)n2)cc1I
InChIInChI=1S/C13H10IN3/c1-9-5-6-10(7-12(9)14)16-13-4-2-3-11(8-15)17-13/h2-7H,1H3,(H,16,17)
InChIKeyJZYMNHIPGFYIMD-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.61
Rot. Bonds2

About 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile

6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile (PubChem CID 114257431) has the molecular formula C13H10IN3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
PubChem CID114257431
Molecular FormulaC13H10IN3
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Name6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccc(C#N)n2)cc1I
InChIInChI=1S/C13H10IN3/c1-9-5-6-10(7-12(9)14)16-13-4-2-3-11(8-15)17-13/h2-7H,1H3,(H,16,17)
InChIKeyJZYMNHIPGFYIMD-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

6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
6-[3-(ethylsulfanylmethyl)anilino]pyridine-2-carbonitrile
CID 133392674
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile (CID 114257431) is 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile is Cc1ccc(Nc2cccc(C#N)n2)cc1I.
What is the InChIKey of 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is JZYMNHIPGFYIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3/c1-9-5-6-10(7-12(9)14)16-13-4-2-3-11(8-15)17-13/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile?
6-(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 6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 114257431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).