[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

C13H10BrN3O — CID 87697100

IUPAC[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1c[nH]c2nccc(-c3ccc(Br)nc3)c12
InChIInChI=1S/C13H10BrN3O/c14-11-2-1-8(5-16-11)10-3-4-15-13-12(10)9(7-18)6-17-13/h1-6,18H,7H2,(H,15,17)
InChIKeyGRJKMQHDXMSSPA-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.88
Rot. Bonds2

About [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol

[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 87697100) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID87697100
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESOCc1c[nH]c2nccc(-c3ccc(Br)nc3)c12
InChIInChI=1S/C13H10BrN3O/c14-11-2-1-8(5-16-11)10-3-4-15-13-12(10)9(7-18)6-17-13/h1-6,18H,7H2,(H,15,17)
InChIKeyGRJKMQHDXMSSPA-UHFFFAOYSA-N
XLogP2.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 130048372
(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)methanol
CID 130121009
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67501721
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 11151524
[4-[3-[(4-chlorophenyl)methoxy]-2-ethoxyphenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66813630
4-methyl-N-[[4-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]benzenesulfonamide
CID 89489091
3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67500514
3,5-dimethylpiperidin-4-ol;3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 170614405
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
CID 11348729
3-fluoro-4-phenyl-1H-pyrrolo[2,3-b]pyridine;1-(2-methylpropylamino)propan-2-ol
CID 170614482

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 87697100) is [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is OCc1c[nH]c2nccc(-c3ccc(Br)nc3)c12.
What is the InChIKey of [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is GRJKMQHDXMSSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-2-1-8(5-16-11)10-3-4-15-13-12(10)9(7-18)6-17-13/h1-6,18H,7H2,(H,15,17).
What are the key properties of [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol?
[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 304.15 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 87697100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).