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

C19H13F2N3O2 — CID 163234170

IUPAC2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol
SMILESCOc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1
InChIInChI=1S/C19H13F2N3O2/c1-26-18-5-3-12(9-22-18)11-2-4-16-13(6-11)10-23-24(16)14-7-15(20)19(21)17(25)8-14/h2-10,25H,1H3
InChIKeyPATSOLKOZXRVKI-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.08
Rot. Bonds3

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

2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol (PubChem CID 163234170) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol
PubChem CID163234170
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol
SMILESCOc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1
InChIInChI=1S/C19H13F2N3O2/c1-26-18-5-3-12(9-22-18)11-2-4-16-13(6-11)10-23-24(16)14-7-15(20)19(21)17(25)8-14/h2-10,25H,1H3
InChIKeyPATSOLKOZXRVKI-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol?
The IUPAC name of 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol (CID 163234170) is 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol.
What is the SMILES notation for 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol?
The canonical SMILES for 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol is COc1ccc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)cn1.
What is the InChIKey of 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol?
The InChIKey is PATSOLKOZXRVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c1-26-18-5-3-12(9-22-18)11-2-4-16-13(6-11)10-23-24(16)14-7-15(20)19(21)17(25)8-14/h2-10,25H,1H3.
What are the key properties of 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol?
2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol has a molecular weight of 353.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-[5-(6-methoxy-3-pyridinyl)indazol-1-yl]phenol is sourced from PubChem (CID 163234170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).