[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol

C15H12F2N2O — CID 130346846

IUPAC[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol
SMILESOCc1ccnc2cc(Cc3ccc(F)c(F)c3)[nH]c12
InChIInChI=1S/C15H12F2N2O/c16-12-2-1-9(6-13(12)17)5-11-7-14-15(19-11)10(8-20)3-4-18-14/h1-4,6-7,19-20H,5,8H2
InChIKeyJZMMFPJDPHSQAN-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.92
Rot. Bonds3

About [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol

[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol (PubChem CID 130346846) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol
PubChem CID130346846
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol
SMILESOCc1ccnc2cc(Cc3ccc(F)c(F)c3)[nH]c12
InChIInChI=1S/C15H12F2N2O/c16-12-2-1-9(6-13(12)17)5-11-7-14-15(19-11)10(8-20)3-4-18-14/h1-4,6-7,19-20H,5,8H2
InChIKeyJZMMFPJDPHSQAN-UHFFFAOYSA-N
XLogP2.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol?
The IUPAC name of [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol (CID 130346846) is [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol.
What is the SMILES notation for [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol?
The canonical SMILES for [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol is OCc1ccnc2cc(Cc3ccc(F)c(F)c3)[nH]c12.
What is the InChIKey of [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol?
The InChIKey is JZMMFPJDPHSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-12-2-1-9(6-13(12)17)5-11-7-14-15(19-11)10(8-20)3-4-18-14/h1-4,6-7,19-20H,5,8H2.
What are the key properties of [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol?
[2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol has a molecular weight of 274.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridin-7-yl]methanol is sourced from PubChem (CID 130346846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).