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

C14H7BrF2N2O — CID 58086748

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrF2N2O/c15-7-3-9-11(6-19-14(9)18-5-7)13(20)10-4-8(16)1-2-12(10)17/h1-6H,(H,18,19)
InChIKeyHNTXNLRUHFKVBQ-UHFFFAOYSA-N
MW337.12 g/mol
LogP3.83
Rot. Bonds2

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone (PubChem CID 58086748) has the molecular formula C14H7BrF2N2O and a molecular weight of 337.12 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone
PubChem CID58086748
Molecular FormulaC14H7BrF2N2O
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H7BrF2N2O/c15-7-3-9-11(6-19-14(9)18-5-7)13(20)10-4-8(16)1-2-12(10)17/h1-6H,(H,18,19)
InChIKeyHNTXNLRUHFKVBQ-UHFFFAOYSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12778216
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CID 155564558
CID 155564558
CID 156015926
CID 156015926
CID 156017507
CID 156017507
CID 156017967
CID 156017967
CID 45267446
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CID 49830277
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CID 49830292
CID 49830292

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone (CID 58086748) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is HNTXNLRUHFKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N2O/c15-7-3-9-11(6-19-14(9)18-5-7)13(20)10-4-8(16)1-2-12(10)17/h1-6H,(H,18,19).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 337.12 g/mol, XLogP of 3.83, 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)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 58086748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).