(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone

C14H8Cl2N2O2 — CID 166063502

IUPAC(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2cnccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-10-5-9(6-11(16)13(10)19)14(20)18-4-2-8-7-17-3-1-12(8)18/h1-7,19H
InChIKeyFRVQTQCZMLNNKD-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.74
Rot. Bonds1

About (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone

(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone (PubChem CID 166063502) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
PubChem CID166063502
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2cnccc21
InChIInChI=1S/C14H8Cl2N2O2/c15-10-5-9(6-11(16)13(10)19)14(20)18-4-2-8-7-17-3-1-12(8)18/h1-7,19H
InChIKeyFRVQTQCZMLNNKD-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6539948
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US20230278981, Example 100
CID 163301150
URAT1 inhibitor 3
CID 165412792
(3,5-Dichloro-4-hydroxyphenyl)-indazol-1-ylmethanone
CID 166063504
(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
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512
(3,5-Dichloro-4-hydroxyphenyl)-(5-methylindazol-1-yl)methanone
CID 166063513
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-b]pyridin-1-ylmethanone
CID 166063514
3-chloro-4-hydroxy-N-[(E)-[1-(pyridin-3-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 44453765
3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 118740684

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone?
The IUPAC name of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone (CID 166063502) is (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone.
What is the SMILES notation for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone?
The canonical SMILES for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone is O=C(c1cc(Cl)c(O)c(Cl)c1)n1ccc2cnccc21.
What is the InChIKey of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone?
The InChIKey is FRVQTQCZMLNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-10-5-9(6-11(16)13(10)19)14(20)18-4-2-8-7-17-3-1-12(8)18/h1-7,19H.
What are the key properties of (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone?
(3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone has a molecular weight of 307.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone is sourced from PubChem (CID 166063502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).