2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine

C13H14ClN — CID 123249942

IUPAC2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine
SMILESC=CC=C(C)C=CCc1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN/c1-3-5-11(2)6-4-7-12-8-9-13(14)15-10-12/h3-6,8-10H,1,7H2,2H3
InChIKeyDLMUYFZCMKDCMO-UHFFFAOYSA-N
MW219.71 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine

2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine (PubChem CID 123249942) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine
PubChem CID123249942
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine
SMILESC=CC=C(C)C=CCc1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN/c1-3-5-11(2)6-4-7-12-8-9-13(14)15-10-12/h3-6,8-10H,1,7H2,2H3
InChIKeyDLMUYFZCMKDCMO-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5Z)-N-[(6-chloro-3-pyridinyl)methyl]octa-1,3,5,7-tetraen-4-amine;ethane
CID 143694178
(3E,5Z)-N-[(6-chloro-3-pyridinyl)methyl]octa-1,3,5,7-tetraen-4-amine
CID 143694179
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
2-chloro-5-ethenylpyridine;ethane
CID 143380125
S-[(6-chloro-3-pyridinyl)methyl] ethanethioate
CID 6420468
N'-[(6-chloro-3-pyridinyl)methyl]ethanimidamide
CID 22461898
3-[(6-chloro-3-pyridinyl)methyl-methylamino]but-2-enenitrile
CID 74600450
2-chloro-5-(iodomethyl)pyridine
CID 11149463
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
2-[(6-chloro-3-pyridinyl)methyl]-2-ethylbutanoic acid
CID 83067640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine?
The IUPAC name of 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine (CID 123249942) is 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine.
What is the SMILES notation for 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine?
The canonical SMILES for 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine is C=CC=C(C)C=CCc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine?
The InChIKey is DLMUYFZCMKDCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-3-5-11(2)6-4-7-12-8-9-13(14)15-10-12/h3-6,8-10H,1,7H2,2H3.
What are the key properties of 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine?
2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine has a molecular weight of 219.71 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylhepta-2,4,6-trienyl)pyridine is sourced from PubChem (CID 123249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).