4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C14H8ClF2N3O2 — CID 146500587

IUPAC4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(-c2c(F)cccc2F)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C14H8ClF2N3O2/c1-6-10-11(15)7(14(21)22)5-18-13(10)20(19-6)12-8(16)3-2-4-9(12)17/h2-5H,1H3,(H,21,22)
InChIKeyKSNFHPQNEDLJAM-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.36
Rot. Bonds2

About 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 146500587) has the molecular formula C14H8ClF2N3O2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID146500587
Molecular FormulaC14H8ClF2N3O2
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC Name4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(-c2c(F)cccc2F)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C14H8ClF2N3O2/c1-6-10-11(15)7(14(21)22)5-18-13(10)20(19-6)12-8(16)3-2-4-9(12)17/h2-5H,1H3,(H,21,22)
InChIKeyKSNFHPQNEDLJAM-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 146500587) is 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(-c2c(F)cccc2F)c2ncc(C(=O)O)c(Cl)c12.
What is the InChIKey of 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is KSNFHPQNEDLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O2/c1-6-10-11(15)7(14(21)22)5-18-13(10)20(19-6)12-8(16)3-2-4-9(12)17/h2-5H,1H3,(H,21,22).
What are the key properties of 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 323.69 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,6-difluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 146500587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).