2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole

C19H12BrF2N3O — CID 163233731

IUPAC2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole
SMILESFc1cc2cn(-c3ccc(Br)cn3)nc2c(F)c1OCc1ccccc1
InChIInChI=1S/C19H12BrF2N3O/c20-14-6-7-16(23-9-14)25-10-13-8-15(21)19(17(22)18(13)24-25)26-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQNLPUGNBGGWZTR-UHFFFAOYSA-N
MW416.23 g/mol
LogP5.04
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole

2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole (PubChem CID 163233731) has the molecular formula C19H12BrF2N3O and a molecular weight of 416.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole
PubChem CID163233731
Molecular FormulaC19H12BrF2N3O
Molecular Weight416.23 g/mol
Exact Mass415.01
IUPAC Name2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole
SMILESFc1cc2cn(-c3ccc(Br)cn3)nc2c(F)c1OCc1ccccc1
InChIInChI=1S/C19H12BrF2N3O/c20-14-6-7-16(23-9-14)25-10-13-8-15(21)19(17(22)18(13)24-25)26-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQNLPUGNBGGWZTR-UHFFFAOYSA-N
XLogP5.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.23
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1E)-1-[(2-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895689
(1E)-1-[(3-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895690
(1E)-1-[(4-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895691
(1E)-1-[(3,4-difluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895692
(1E)-1-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91068408
(2E)-1-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}hydrazine
CID 91223202
6-(2-Fluoro-6-methoxyphenyl)-1-(6-methoxy-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162669047
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604950
US10954240, Example 42
CID 118930246
US10954240, Example 43
CID 118930247
US10266548, Example 2-5-1
CID 130417013
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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole (CID 163233731) is 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole is Fc1cc2cn(-c3ccc(Br)cn3)nc2c(F)c1OCc1ccccc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole?
The InChIKey is QNLPUGNBGGWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF2N3O/c20-14-6-7-16(23-9-14)25-10-13-8-15(21)19(17(22)18(13)24-25)26-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole?
2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole has a molecular weight of 416.23 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5,7-difluoro-6-phenylmethoxyindazole is sourced from PubChem (CID 163233731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).