6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile

C8H7IN2 — CID 137495636

IUPAC6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile
SMILESC[C@@H](I)c1cccc(C#N)n1
InChIInChI=1S/C8H7IN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,1H3/t6-/m1/s1
InChIKeyHCHKNPHJFFSEHH-ZCFIWIBFSA-N
MW258.06 g/mol
LogP2.45
Rot. Bonds1

About 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile

6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile (PubChem CID 137495636) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile
PubChem CID137495636
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile
SMILESC[C@@H](I)c1cccc(C#N)n1
InChIInChI=1S/C8H7IN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,1H3/t6-/m1/s1
InChIKeyHCHKNPHJFFSEHH-ZCFIWIBFSA-N
XLogP2.45
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile (CID 137495636) is 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile is C[C@@H](I)c1cccc(C#N)n1.
What is the InChIKey of 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile?
The InChIKey is HCHKNPHJFFSEHH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H7IN2/c1-6(9)8-4-2-3-7(5-10)11-8/h2-4,6H,1H3/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile?
6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile has a molecular weight of 258.06 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-iodoethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 137495636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).