(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride

C10H11BrClN3O — CID 155722682

IUPAC(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(N)=C1/NC=C(Br)C=C1OC
InChIInChI=1S/C10H11BrClN3O/c1-16-8-4-6(11)5-15-10(8)7(13)2-3-9(12)14/h2-5,14-15H,13H2,1H3/b3-2-,10-7+,14-9-
InChIKeyXHLPDJWUTALFHY-FKPAZZCHSA-N
MW304.58 g/mol
LogP2.30
Rot. Bonds3

About (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride

(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride (PubChem CID 155722682) has the molecular formula C10H11BrClN3O and a molecular weight of 304.58 g/mol. Its IUPAC name is (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride
PubChem CID155722682
Molecular FormulaC10H11BrClN3O
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Name(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(N)=C1/NC=C(Br)C=C1OC
InChIInChI=1S/C10H11BrClN3O/c1-16-8-4-6(11)5-15-10(8)7(13)2-3-9(12)14/h2-5,14-15H,13H2,1H3/b3-2-,10-7+,14-9-
InChIKeyXHLPDJWUTALFHY-FKPAZZCHSA-N
XLogP2.30
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride?
The IUPAC name of (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride (CID 155722682) is (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride.
What is the SMILES notation for (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride?
The canonical SMILES for (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(N)=C1/NC=C(Br)C=C1OC.
What is the InChIKey of (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride?
The InChIKey is XHLPDJWUTALFHY-FKPAZZCHSA-N. The full InChI is InChI=1S/C10H11BrClN3O/c1-16-8-4-6(11)5-15-10(8)7(13)2-3-9(12)14/h2-5,14-15H,13H2,1H3/b3-2-,10-7+,14-9-.
What are the key properties of (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride?
(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride has a molecular weight of 304.58 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride is sourced from PubChem (CID 155722682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).