3-(3,5-dibromo-4-pyridinyl)prop-2-enamide

C8H6Br2N2O — CID 169482978

IUPAC3-(3,5-dibromo-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(Br)cncc1Br
InChIInChI=1S/C8H6Br2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13)
InChIKeyVUDPXYPVDRPTTA-UHFFFAOYSA-N
MW305.96 g/mol
LogP2.11
Rot. Bonds2

About 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide

3-(3,5-dibromo-4-pyridinyl)prop-2-enamide (PubChem CID 169482978) has the molecular formula C8H6Br2N2O and a molecular weight of 305.96 g/mol. Its IUPAC name is 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dibromo-4-pyridinyl)prop-2-enamide
PubChem CID169482978
Molecular FormulaC8H6Br2N2O
Molecular Weight305.96 g/mol
Exact Mass303.88
IUPAC Name3-(3,5-dibromo-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(Br)cncc1Br
InChIInChI=1S/C8H6Br2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13)
InChIKeyVUDPXYPVDRPTTA-UHFFFAOYSA-N
XLogP2.11
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.96
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-1,6-naphthyridin-2(1H)-one
CID 11775824
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
3-bromo-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 10264820
(E)-3-(3-bromo-4-pyridinyl)prop-2-enamide
CID 131240805
2-Bromo-N-methylisonicotinamide
CID 2762473
2-Bromoisonicotinamide
CID 4625407
8-Bromo-1,6-naphthyridin-2(1H)-one
CID 24212088
(3,5-Dibromopyridin-4-yl)methanamine
CID 53397235
4-Ethenylpyridine;prop-2-enamide
CID 23367375
3-Bromoisonicotinohydrazide
CID 119085646
1-[(5-Bromo-3-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 115580402
3-Bromo-5-fluoroisonicotinamide
CID 71607296

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide (CID 169482978) is 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide is NC(=O)C=Cc1c(Br)cncc1Br.
What is the InChIKey of 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide?
The InChIKey is VUDPXYPVDRPTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13).
What are the key properties of 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide?
3-(3,5-dibromo-4-pyridinyl)prop-2-enamide has a molecular weight of 305.96 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dibromo-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169482978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).