2-chloro-3-(4-propan-2-ylphenyl)pyridine

C14H14ClN — CID 82082322

IUPAC2-chloro-3-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-16-14(13)15/h3-10H,1-2H3
InChIKeyNKLMFWFZHUBUPU-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.53
Rot. Bonds2

About 2-chloro-3-(4-propan-2-ylphenyl)pyridine

2-chloro-3-(4-propan-2-ylphenyl)pyridine (PubChem CID 82082322) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-chloro-3-(4-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(4-propan-2-ylphenyl)pyridine
PubChem CID82082322
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-chloro-3-(4-propan-2-ylphenyl)pyridine
SMILESCC(C)c1ccc(-c2cccnc2Cl)cc1
InChIInChI=1S/C14H14ClN/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-16-14(13)15/h3-10H,1-2H3
InChIKeyNKLMFWFZHUBUPU-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-chloro-3-(4-propan-2-ylphenyl)pyridine (CID 82082322) is 2-chloro-3-(4-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-chloro-3-(4-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-chloro-3-(4-propan-2-ylphenyl)pyridine is CC(C)c1ccc(-c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-propan-2-ylphenyl)pyridine?
The InChIKey is NKLMFWFZHUBUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-16-14(13)15/h3-10H,1-2H3.
What are the key properties of 2-chloro-3-(4-propan-2-ylphenyl)pyridine?
2-chloro-3-(4-propan-2-ylphenyl)pyridine has a molecular weight of 231.73 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 82082322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).