(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one

C14H11BrN2O — CID 41098843

IUPAC(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Br)c1ccccn1
InChIInChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-
InChIKeyVJCVLWYPAHRUPD-NTMALXAHSA-N
MW303.16 g/mol
LogP3.65
Rot. Bonds4

About (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one

(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 41098843) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
PubChem CID41098843
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Br)c1ccccn1
InChIInChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-
InChIKeyVJCVLWYPAHRUPD-NTMALXAHSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-iodoanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 2260334
(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 142601724
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
(E)-3-(2-methylpropylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 23591196
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
CID 102284803
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733
(E)-3-hydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
CID 91870939
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
N-(2-bromophenyl)formamide
CID 817914

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one (CID 41098843) is (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C\Nc1ccccc1Br)c1ccccn1.
What is the InChIKey of (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is VJCVLWYPAHRUPD-NTMALXAHSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-.
What are the key properties of (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one?
(Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 303.16 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-bromoanilino)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 41098843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).