N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine

C15H13ClN2 — CID 134582179

IUPACN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+
InChIKeyBZCWMYQEOIKECN-MDZDMXLPSA-N
MW256.74 g/mol
LogP4.37
Rot. Bonds4

About N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine

N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine (PubChem CID 134582179) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
PubChem CID134582179
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC NameN-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+
InChIKeyBZCWMYQEOIKECN-MDZDMXLPSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The IUPAC name of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine (CID 134582179) is N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The canonical SMILES for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine is C=C(/C=C/c1ccccc1Cl)Nc1ccccn1.
What is the InChIKey of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
The InChIKey is BZCWMYQEOIKECN-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-12(18-15-8-4-5-11-17-15)9-10-13-6-2-3-7-14(13)16/h2-11H,1H2,(H,17,18)/b10-9+.
What are the key properties of N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine?
N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-(2-chlorophenyl)buta-1,3-dien-2-yl]pyridin-2-amine is sourced from PubChem (CID 134582179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).