(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

C14H7BrCl2N2O2 — CID 166063503

IUPAC(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1cc(Br)c2cccnc21
InChIInChI=1S/C14H7BrCl2N2O2/c15-9-6-19(13-8(9)2-1-3-18-13)14(21)7-4-10(16)12(20)11(17)5-7/h1-6,20H
InChIKeyOJVJUFGRWCOUNI-UHFFFAOYSA-N
MW386.03 g/mol
LogP4.50
Rot. Bonds1

About (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (PubChem CID 166063503) has the molecular formula C14H7BrCl2N2O2 and a molecular weight of 386.03 g/mol. Its IUPAC name is (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
PubChem CID166063503
Molecular FormulaC14H7BrCl2N2O2
Molecular Weight386.03 g/mol
Exact Mass383.91
IUPAC Name(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1cc(Br)c2cccnc21
InChIInChI=1S/C14H7BrCl2N2O2/c15-9-6-19(13-8(9)2-1-3-18-13)14(21)7-4-10(16)12(20)11(17)5-7/h1-6,20H
InChIKeyOJVJUFGRWCOUNI-UHFFFAOYSA-N
XLogP4.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.03
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone 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

URAT1 inhibitor 3
CID 165412792
(4-Hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063500
(3-Chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063505
(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 166063508
(3-Bromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063511
(3-Fluoro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063515
(3,5-Dibromo-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063519
(3,5-Dichloro-4-hydroxyphenyl)-(2-ethyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 164867670
(3,5-Dichloro-4-phenylmethoxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063509
3-chloro-4-hydroxy-N-methyl-N-pyridin-2-ylbenzamide
CID 28392903
N-(5-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide
CID 28831575
N-(3-bromo-2-pyridinyl)-3-chloro-4-hydroxybenzamide
CID 65551548

Frequently Asked Questions

What is the IUPAC name of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The IUPAC name of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (CID 166063503) is (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)n1cc(Br)c2cccnc21.
What is the InChIKey of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The InChIKey is OJVJUFGRWCOUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O2/c15-9-6-19(13-8(9)2-1-3-18-13)14(21)7-4-10(16)12(20)11(17)5-7/h1-6,20H.
What are the key properties of (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
(3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone has a molecular weight of 386.03 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 166063503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).