(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide

C12H10BrNO3 — CID 3015591

IUPAC(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
SMILESBr.O=C(c1ccc(O)c(O)c1)c1ccccn1
InChIInChI=1S/C12H9NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h1-7,14-15H;1H
InChIKeyKTDLKYUKPICNPE-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.30
Rot. Bonds2

About (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide

(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide (PubChem CID 3015591) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
PubChem CID3015591
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide
SMILESBr.O=C(c1ccc(O)c(O)c1)c1ccccn1
InChIInChI=1S/C12H9NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h1-7,14-15H;1H
InChIKeyKTDLKYUKPICNPE-UHFFFAOYSA-N
XLogP2.30
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide 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

[4-hydroxy-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118853780
[3-hydroxy-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847893
(3-amino-4-phosphanylphenyl)-pyridin-2-ylmethanone
CID 142091739
(3,5-dichlorophenyl)-pyridin-2-ylmethanone
CID 24723586
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
[3-amino-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802654
pyridine-2-carboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174630299
(6-tert-butyl-3-pyridinyl)-pyridin-2-ylmethanone
CID 59744024
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
(E)-3-(3,4-dihydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 137079315
3,4-dihydroxybenzoic acid;pyridine
CID 139080161
1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone;hydrochloride
CID 54602396

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide?
The IUPAC name of (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide (CID 3015591) is (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide.
What is the SMILES notation for (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide?
The canonical SMILES for (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide is Br.O=C(c1ccc(O)c(O)c1)c1ccccn1.
What is the InChIKey of (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide?
The InChIKey is KTDLKYUKPICNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3.BrH/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9;/h1-7,14-15H;1H.
What are the key properties of (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide?
(3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide has a molecular weight of 296.12 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-pyridin-2-ylmethanone;hydrobromide is sourced from PubChem (CID 3015591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).