2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine

C17H21IN2 — CID 177351383

IUPAC2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccnc(-c2ncccc2CC(C)I)c1
InChIInChI=1S/C17H21IN2/c1-12(2)9-14-6-8-19-16(11-14)17-15(10-13(3)18)5-4-7-20-17/h4-8,11-13H,9-10H2,1-3H3
InChIKeyNGQRKPIDRDYBPX-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.71
Rot. Bonds5

About 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine

2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine (PubChem CID 177351383) has the molecular formula C17H21IN2 and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine
PubChem CID177351383
Molecular FormulaC17H21IN2
Molecular Weight380.27 g/mol
Exact Mass380.07
IUPAC Name2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccnc(-c2ncccc2CC(C)I)c1
InChIInChI=1S/C17H21IN2/c1-12(2)9-14-6-8-19-16(11-14)17-15(10-13(3)18)5-4-7-20-17/h4-8,11-13H,9-10H2,1-3H3
InChIKeyNGQRKPIDRDYBPX-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.71
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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Related Compounds

4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
[4-(2-methylpropyl)-2-pyridinyl]-diphenylphosphane
CID 88673400
5-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611333
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
4-(2-methylpropyl)pyridine-2-carbaldehyde
CID 130153005
3-(2,2-dimethoxyethyl)-2-pyridin-2-ylpyridine
CID 141442661
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-methyl-2-(2-methylphenyl)-8-[4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 162776993
N-methyl-1-[4-(2-methylpropyl)-2-pyridinyl]methanimine
CID 166762860
[3-(2-methylpropyl)-2-pyridinyl]methanethiol
CID 130227470
hydron;3-(2-methylpropyl)-5-pyridin-2-ylpyridine
CID 174909931

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine?
The IUPAC name of 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine (CID 177351383) is 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine.
What is the SMILES notation for 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine?
The canonical SMILES for 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine is CC(C)Cc1ccnc(-c2ncccc2CC(C)I)c1.
What is the InChIKey of 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine?
The InChIKey is NGQRKPIDRDYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2/c1-12(2)9-14-6-8-19-16(11-14)17-15(10-13(3)18)5-4-7-20-17/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine?
2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine has a molecular weight of 380.27 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-iodopropyl)-2-pyridinyl]-4-(2-methylpropyl)pyridine is sourced from PubChem (CID 177351383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).