2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid

C11H11F2N3O3 — CID 19622968

IUPAC2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILESCc1nn(C)c2c1c(C(F)F)cc(=O)n2CC(=O)O
InChIInChI=1S/C11H11F2N3O3/c1-5-9-6(10(12)13)3-7(17)16(4-8(18)19)11(9)15(2)14-5/h3,10H,4H2,1-2H3,(H,18,19)
InChIKeyQAKKHFBQGOWBIE-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.07
Rot. Bonds3

About 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid

2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid (PubChem CID 19622968) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid
PubChem CID19622968
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILESCc1nn(C)c2c1c(C(F)F)cc(=O)n2CC(=O)O
InChIInChI=1S/C11H11F2N3O3/c1-5-9-6(10(12)13)3-7(17)16(4-8(18)19)11(9)15(2)14-5/h3,10H,4H2,1-2H3,(H,18,19)
InChIKeyQAKKHFBQGOWBIE-UHFFFAOYSA-N
XLogP1.07
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid (CID 19622968) is 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid is Cc1nn(C)c2c1c(C(F)F)cc(=O)n2CC(=O)O.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The InChIKey is QAKKHFBQGOWBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c1-5-9-6(10(12)13)3-7(17)16(4-8(18)19)11(9)15(2)14-5/h3,10H,4H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid?
2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid has a molecular weight of 271.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetic acid is sourced from PubChem (CID 19622968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).