(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

C13H6Cl3N3O2 — CID 166063508

IUPAC(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C13H6Cl3N3O2/c14-8-3-6(4-9(15)10(8)20)13(21)19-2-1-7-11(16)17-5-18-12(7)19/h1-5,20H
InChIKeyUKOHSUSNXIUBFW-UHFFFAOYSA-N
MW342.57 g/mol
LogP3.79
Rot. Bonds1

About (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone

(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (PubChem CID 166063508) has the molecular formula C13H6Cl3N3O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
PubChem CID166063508
Molecular FormulaC13H6Cl3N3O2
Molecular Weight342.57 g/mol
Exact Mass340.95
IUPAC Name(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2c(Cl)ncnc21
InChIInChI=1S/C13H6Cl3N3O2/c14-8-3-6(4-9(15)10(8)20)13(21)19-2-1-7-11(16)17-5-18-12(7)19/h1-5,20H
InChIKeyUKOHSUSNXIUBFW-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

URAT1 inhibitor 3
CID 165412792
(4-Hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063500
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
(3-Bromopyrrolo[2,3-b]pyridin-1-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone
CID 166063503
(3-Chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063505
(4-Hydroxy-3-methylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063506
(4-Hydroxy-3,5-dimethylphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063507
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
CID 166063514
(3-Fluoro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
CID 166063515
3-chloro-4-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 45809476
3-chloro-4-hydroxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 47020646
3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 68356350

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The IUPAC name of (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone (CID 166063508) is (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2c(Cl)ncnc21.
What is the InChIKey of (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
The InChIKey is UKOHSUSNXIUBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3O2/c14-8-3-6(4-9(15)10(8)20)13(21)19-2-1-7-11(16)17-5-18-12(7)19/h1-5,20H.
What are the key properties of (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone?
(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone has a molecular weight of 342.57 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-(3,5-dichloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 166063508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).