6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine

C14H15BrF2N2 — CID 90426131

IUPAC6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFC1(F)CCC(Cc2c(Br)cnc3cc[nH]c23)CC1
InChIInChI=1S/C14H15BrF2N2/c15-11-8-19-12-3-6-18-13(12)10(11)7-9-1-4-14(16,17)5-2-9/h3,6,8-9,18H,1-2,4-5,7H2
InChIKeyONRZKJZDSAMJJG-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.69
Rot. Bonds2

About 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine

6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine (PubChem CID 90426131) has the molecular formula C14H15BrF2N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
PubChem CID90426131
Molecular FormulaC14H15BrF2N2
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine
SMILESFC1(F)CCC(Cc2c(Br)cnc3cc[nH]c23)CC1
InChIInChI=1S/C14H15BrF2N2/c15-11-8-19-12-3-6-18-13(12)10(11)7-9-1-4-14(16,17)5-2-9/h3,6,8-9,18H,1-2,4-5,7H2
InChIKeyONRZKJZDSAMJJG-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine (CID 90426131) is 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine is FC1(F)CCC(Cc2c(Br)cnc3cc[nH]c23)CC1.
What is the InChIKey of 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ONRZKJZDSAMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2/c15-11-8-19-12-3-6-18-13(12)10(11)7-9-1-4-14(16,17)5-2-9/h3,6,8-9,18H,1-2,4-5,7H2.
What are the key properties of 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine?
6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 329.19 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).