2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine

C12H17ClN2O — CID 134484591

IUPAC2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
SMILESCC/C=C(\OCC)c1cnc(Cl)cc1NC
InChIInChI=1S/C12H17ClN2O/c1-4-6-11(16-5-2)9-8-15-12(13)7-10(9)14-3/h6-8H,4-5H2,1-3H3,(H,14,15)/b11-6-
InChIKeyLGFYGNDYRKKINP-WDZFZDKYSA-N
MW240.73 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine

2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine (PubChem CID 134484591) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
PubChem CID134484591
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
SMILESCC/C=C(\OCC)c1cnc(Cl)cc1NC
InChIInChI=1S/C12H17ClN2O/c1-4-6-11(16-5-2)9-8-15-12(13)7-10(9)14-3/h6-8H,4-5H2,1-3H3,(H,14,15)/b11-6-
InChIKeyLGFYGNDYRKKINP-WDZFZDKYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
CID 144735710
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
6-chloro-3-[(E)-1-ethoxybut-1-enyl]-N-methylpyridazin-4-amine
CID 167240938
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
2-chloro-5-ethenyl-N-methylpyridin-4-amine
CID 144806853
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 6-chloro-4-[(3-formylcyclobutyl)amino]pyridine-3-carboxylate
CID 90134379
6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine (CID 134484591) is 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine is CC/C=C(\OCC)c1cnc(Cl)cc1NC.
What is the InChIKey of 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine?
The InChIKey is LGFYGNDYRKKINP-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-6-11(16-5-2)9-8-15-12(13)7-10(9)14-3/h6-8H,4-5H2,1-3H3,(H,14,15)/b11-6-.
What are the key properties of 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine?
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine has a molecular weight of 240.73 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 134484591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).