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

C14H7BrClFN2O — CID 58086773

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrClFN2O/c15-7-3-10-11(6-19-14(10)18-5-7)13(20)9-2-1-8(16)4-12(9)17/h1-6H,(H,18,19)
InChIKeyGNYALTNZZQUZDA-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.35
Rot. Bonds2

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 58086773) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID58086773
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrClFN2O/c15-7-3-10-11(6-19-14(10)18-5-7)13(20)9-2-1-8(16)4-12(9)17/h1-6H,(H,18,19)
InChIKeyGNYALTNZZQUZDA-UHFFFAOYSA-N
XLogP4.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
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(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976
(3-amino-2-ethyl-6-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 162741571
[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58087344
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanone
CID 143385143

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone (CID 58086773) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone is O=C(c1ccc(Cl)cc1F)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is GNYALTNZZQUZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-7-3-10-11(6-19-14(10)18-5-7)13(20)9-2-1-8(16)4-12(9)17/h1-6H,(H,18,19).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 353.58 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 58086773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).