2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid

C12H13NO3 — CID 84786549

IUPAC2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1cc2ncccc2o1
InChIInChI=1S/C12H13NO3/c1-7(2)11(12(14)15)10-6-8-9(16-10)4-3-5-13-8/h3-7,11H,1-2H3,(H,14,15)
InChIKeyHFBNHNOJVWKXGC-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.65
Rot. Bonds3

About 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid

2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid (PubChem CID 84786549) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid.

Molecular Properties

Compound Name2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid
PubChem CID84786549
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)c1cc2ncccc2o1
InChIInChI=1S/C12H13NO3/c1-7(2)11(12(14)15)10-6-8-9(16-10)4-3-5-13-8/h3-7,11H,1-2H3,(H,14,15)
InChIKeyHFBNHNOJVWKXGC-UHFFFAOYSA-N
XLogP2.65
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
1-furo[3,2-b]pyridin-2-ylethanone
CID 84764333
3-amino-1-furo[3,2-b]pyridin-2-ylpropan-1-ol
CID 84772319
2-(2-cyano-3-pyridinyl)-3-methylbutanoic acid
CID 83881858
2-iodofuro[3,2-b]pyridine
CID 126713754
furo[3,2-b]pyridin-2-amine
CID 82593833
furo[3,2-b]pyridine-2-carbaldehyde
CID 642127
furo[3,2-b]pyridin-2-ylboronic acid
CID 119086080
3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
CID 130244822
N-(furo[3,2-b]pyridin-2-ylmethyl)-N-methylhydroxylamine
CID 84767584
3-methyl-2-quinolin-7-yloxybutanoic acid
CID 107313050
2-nitrofuro[3,2-b]pyridine
CID 641457

Frequently Asked Questions

What is the IUPAC name of 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid?
The IUPAC name of 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid (CID 84786549) is 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid.
What is the SMILES notation for 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid?
The canonical SMILES for 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid is CC(C)C(C(=O)O)c1cc2ncccc2o1.
What is the InChIKey of 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid?
The InChIKey is HFBNHNOJVWKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7(2)11(12(14)15)10-6-8-9(16-10)4-3-5-13-8/h3-7,11H,1-2H3,(H,14,15).
What are the key properties of 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid?
2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid has a molecular weight of 219.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-furo[3,2-b]pyridin-2-yl-3-methylbutanoic acid is sourced from PubChem (CID 84786549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).