2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol

C19H13F2N3O — CID 163233832

IUPAC2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol
SMILESCc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1
InChIInChI=1S/C19H13F2N3O/c1-11-2-3-13(9-22-11)12-4-5-17-14(6-12)10-23-24(17)15-7-16(20)19(21)18(25)8-15/h2-10,25H,1H3
InChIKeyHOFSYSVWUCZXKY-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.38
Rot. Bonds2

About 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol

2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol (PubChem CID 163233832) has the molecular formula C19H13F2N3O and a molecular weight of 337.33 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol
PubChem CID163233832
Molecular FormulaC19H13F2N3O
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol
SMILESCc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1
InChIInChI=1S/C19H13F2N3O/c1-11-2-3-13(9-22-11)12-4-5-17-14(6-12)10-23-24(17)15-7-16(20)19(21)18(25)8-15/h2-10,25H,1H3
InChIKeyHOFSYSVWUCZXKY-UHFFFAOYSA-N
XLogP4.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol (CID 163233832) is 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol is Cc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1.
What is the InChIKey of 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol?
The InChIKey is HOFSYSVWUCZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O/c1-11-2-3-13(9-22-11)12-4-5-17-14(6-12)10-23-24(17)15-7-16(20)19(21)18(25)8-15/h2-10,25H,1H3.
What are the key properties of 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol has a molecular weight of 337.33 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(6-methyl-3-pyridinyl)indazol-1-yl]phenol is sourced from PubChem (CID 163233832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).