(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

C14H9ClN2O2 — CID 166063505

IUPAC(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1ccc(O)c(Cl)c1)n1ccc2cccnc21
InChIInChI=1S/C14H9ClN2O2/c15-11-8-10(3-4-12(11)18)14(19)17-7-5-9-2-1-6-16-13(9)17/h1-8,18H
InChIKeyQNMYWOQEFZKEHV-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.08
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone

(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (PubChem CID 166063505) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
PubChem CID166063505
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone
SMILESO=C(c1ccc(O)c(Cl)c1)n1ccc2cccnc21
InChIInChI=1S/C14H9ClN2O2/c15-11-8-10(3-4-12(11)18)14(19)17-7-5-9-2-1-6-16-13(9)17/h1-8,18H
InChIKeyQNMYWOQEFZKEHV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone (CID 166063505) is (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is O=C(c1ccc(O)c(Cl)c1)n1ccc2cccnc21.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
The InChIKey is QNMYWOQEFZKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-8-10(3-4-12(11)18)14(19)17-7-5-9-2-1-6-16-13(9)17/h1-8,18H.
What are the key properties of (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone?
(3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone has a molecular weight of 272.69 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-pyrrolo[2,3-b]pyridin-1-ylmethanone is sourced from PubChem (CID 166063505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).