2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine

C12H14ClN — CID 144648595

IUPAC2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine
SMILESC/C=C(\C=C/CC)c1cccnc1Cl
InChIInChI=1S/C12H14ClN/c1-3-5-7-10(4-2)11-8-6-9-14-12(11)13/h4-9H,3H2,1-2H3/b7-5-,10-4+
InChIKeyPQHGFKYNRJVURL-ACUVPTBSSA-N
MW207.70 g/mol
LogP4.10
Rot. Bonds3

About 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine

2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine (PubChem CID 144648595) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine
PubChem CID144648595
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine
SMILESC/C=C(\C=C/CC)c1cccnc1Cl
InChIInChI=1S/C12H14ClN/c1-3-5-7-10(4-2)11-8-6-9-14-12(11)13/h4-9H,3H2,1-2H3/b7-5-,10-4+
InChIKeyPQHGFKYNRJVURL-ACUVPTBSSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 54.10
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'}

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Related Compounds

1-(2-chloro-3-pyridinyl)but-2-en-1-one
CID 78128433
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2-(2-chloropyridine-3-carbonyl)butanoic acid
CID 54180532
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
butyl 2-chloropyridine-3-carboxylate
CID 11310412
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
CID 154654247
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345
ethane;ethyl 3-(2-chloro-3-pyridinyl)-3-oxopropanoate
CID 142186880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine?
The IUPAC name of 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine (CID 144648595) is 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine?
The canonical SMILES for 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine is C/C=C(\C=C/CC)c1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine?
The InChIKey is PQHGFKYNRJVURL-ACUVPTBSSA-N. The full InChI is InChI=1S/C12H14ClN/c1-3-5-7-10(4-2)11-8-6-9-14-12(11)13/h4-9H,3H2,1-2H3/b7-5-,10-4+.
What are the key properties of 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine?
2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine has a molecular weight of 207.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine is sourced from PubChem (CID 144648595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).