2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile

C9H8ClIN2 — CID 155858637

IUPAC2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1nccc(I)c1Cl
InChIInChI=1S/C9H8ClIN2/c1-9(2,5-12)8-7(10)6(11)3-4-13-8/h3-4H,1-2H3
InChIKeyHHALZGYZPJCKAF-UHFFFAOYSA-N
MW306.53 g/mol
LogP3.14
Rot. Bonds1

About 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile

2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile (PubChem CID 155858637) has the molecular formula C9H8ClIN2 and a molecular weight of 306.53 g/mol. Its IUPAC name is 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
PubChem CID155858637
Molecular FormulaC9H8ClIN2
Molecular Weight306.53 g/mol
Exact Mass305.94
IUPAC Name2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1nccc(I)c1Cl
InChIInChI=1S/C9H8ClIN2/c1-9(2,5-12)8-7(10)6(11)3-4-13-8/h3-4H,1-2H3
InChIKeyHHALZGYZPJCKAF-UHFFFAOYSA-N
XLogP3.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-pyridinyl)-2-methylpropanenitrile
CID 86712398
2-(3-iodo-2-pyridinyl)acetonitrile;2-(3-iodo-2-pyridinyl)-2-methylpropanenitrile
CID 158114433
2-methyl-2-(3-methyl-2-pyridinyl)propanenitrile
CID 53485450
2-(3,5-dichloropyrazin-2-yl)-2-methylpropanenitrile
CID 130327045
2-(2-chloro-4-pyridinyl)-2-methylpropanenitrile
CID 131271060
3-tert-butyl-2-chloro-4-iodopyridine
CID 170927474
4-iodo-3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134628304
2-(5-iodo-2-pyridinyl)-2-methylpropanenitrile
CID 139373118
(3-chloro-4-iodo-2-pyridinyl)-methylidyneazanium
CID 163542048
2-[1-(3-chloro-4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 166914909
2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
CID 127013942
2-methyl-2-pyrimidin-4-ylpropanenitrile
CID 130544390

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile (CID 155858637) is 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile is CC(C)(C#N)c1nccc(I)c1Cl.
What is the InChIKey of 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile?
The InChIKey is HHALZGYZPJCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN2/c1-9(2,5-12)8-7(10)6(11)3-4-13-8/h3-4H,1-2H3.
What are the key properties of 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile?
2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile has a molecular weight of 306.53 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-iodo-2-pyridinyl)-2-methylpropanenitrile is sourced from PubChem (CID 155858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).