(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine

C13H16Cl2N2 — CID 165117862

IUPAC(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine
SMILESC=C(Cl)c1cnc(Cl)cc1/C(=C\C)C(C)(C)N
InChIInChI=1S/C13H16Cl2N2/c1-5-11(13(3,4)16)9-6-12(15)17-7-10(9)8(2)14/h5-7H,2,16H2,1,3-4H3/b11-5+
InChIKeyYUEXEZFSHWIRPS-VZUCSPMQSA-N
MW271.19 g/mol
LogP4.09
Rot. Bonds3

About (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine

(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine (PubChem CID 165117862) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine
PubChem CID165117862
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine
SMILESC=C(Cl)c1cnc(Cl)cc1/C(=C\C)C(C)(C)N
InChIInChI=1S/C13H16Cl2N2/c1-5-11(13(3,4)16)9-6-12(15)17-7-10(9)8(2)14/h5-7H,2,16H2,1,3-4H3/b11-5+
InChIKeyYUEXEZFSHWIRPS-VZUCSPMQSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine 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

2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
CID 145142821
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
amino-[4-(2-chloro-5-methyl-4-pyridinyl)-2-methylhex-3-en-2-yl]-oxidosulfanium
CID 175994585
6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
CID 156538639
2-chloro-5-ethenyl-N-methylpyridin-4-amine
CID 144806853
5-(1-aminoethenyl)-2-chloro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-4-amine
CID 162559576
(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol
CID 165117840
4-amino-6-chloropyridin-3-ol
CID 45079903
4,5-ditert-butyl-2-chloropyridine
CID 155787493
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
tert-butyl 2-chloro-5-(methylcarbamoyl)pyridine-4-carboxylate
CID 167022667

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine?
The IUPAC name of (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine (CID 165117862) is (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine.
What is the SMILES notation for (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine?
The canonical SMILES for (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine is C=C(Cl)c1cnc(Cl)cc1/C(=C\C)C(C)(C)N.
What is the InChIKey of (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine?
The InChIKey is YUEXEZFSHWIRPS-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H16Cl2N2/c1-5-11(13(3,4)16)9-6-12(15)17-7-10(9)8(2)14/h5-7H,2,16H2,1,3-4H3/b11-5+.
What are the key properties of (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine?
(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine has a molecular weight of 271.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine is sourced from PubChem (CID 165117862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).