2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile

C14H12IN3 — CID 114257428

IUPAC2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(I)ccc2C)n1
InChIInChI=1S/C14H12IN3/c1-9-3-4-12(15)7-13(9)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18)
InChIKeyPCZMRVVQMSIHHO-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.92
Rot. Bonds2

About 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile

2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114257428) has the molecular formula C14H12IN3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114257428
Molecular FormulaC14H12IN3
Molecular Weight349.18 g/mol
Exact Mass349.01
IUPAC Name2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Nc2cc(I)ccc2C)n1
InChIInChI=1S/C14H12IN3/c1-9-3-4-12(15)7-13(9)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18)
InChIKeyPCZMRVVQMSIHHO-UHFFFAOYSA-N
XLogP3.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.92
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-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(4-bromo-5-fluoro-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766691
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
4-N-(5-iodo-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114258171
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
5-[(4-cyano-6-methyl-2-pyridinyl)amino]-2-methylbenzoic acid
CID 114765404
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
3-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80908717
4-[[6-(2,5-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877401
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile (CID 114257428) is 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Nc2cc(I)ccc2C)n1.
What is the InChIKey of 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is PCZMRVVQMSIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3/c1-9-3-4-12(15)7-13(9)18-14-6-11(8-16)5-10(2)17-14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile?
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 349.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).