(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone

C14H10BrClN2O2 — CID 67571509

IUPAC(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1Cl)C1CNc2ncc(Br)cc21
InChIInChI=1S/C14H10BrClN2O2/c15-7-3-10-11(6-18-14(10)17-5-7)13(20)9-2-1-8(19)4-12(9)16/h1-5,11,19H,6H2,(H,17,18)
InChIKeyXJIHVBGOVQKDDD-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.60
Rot. Bonds2

About (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone

(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone (PubChem CID 67571509) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone
PubChem CID67571509
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1Cl)C1CNc2ncc(Br)cc21
InChIInChI=1S/C14H10BrClN2O2/c15-7-3-10-11(6-18-14(10)17-5-7)13(20)9-2-1-8(19)4-12(9)16/h1-5,11,19H,6H2,(H,17,18)
InChIKeyXJIHVBGOVQKDDD-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone?
The IUPAC name of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone (CID 67571509) is (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1Cl)C1CNc2ncc(Br)cc21.
What is the InChIKey of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone?
The InChIKey is XJIHVBGOVQKDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-7-3-10-11(6-18-14(10)17-5-7)13(20)9-2-1-8(19)4-12(9)16/h1-5,11,19H,6H2,(H,17,18).
What are the key properties of (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone?
(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone has a molecular weight of 353.60 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-chloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 67571509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).