[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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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).