1-methylfuro[3,4-c]pyridine-4-carboxylic acid

C9H7NO3 — CID 82410647

IUPAC1-methylfuro[3,4-c]pyridine-4-carboxylic acid
SMILESCc1occ2c(C(=O)O)nccc12
InChIInChI=1S/C9H7NO3/c1-5-6-2-3-10-8(9(11)12)7(6)4-13-5/h2-4H,1H3,(H,11,12)
InChIKeyKLGOWSMFXUYBOM-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.83
Rot. Bonds1

About 1-methylfuro[3,4-c]pyridine-4-carboxylic acid

1-methylfuro[3,4-c]pyridine-4-carboxylic acid (PubChem CID 82410647) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-methylfuro[3,4-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-methylfuro[3,4-c]pyridine-4-carboxylic acid
PubChem CID82410647
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1-methylfuro[3,4-c]pyridine-4-carboxylic acid
SMILESCc1occ2c(C(=O)O)nccc12
InChIInChI=1S/C9H7NO3/c1-5-6-2-3-10-8(9(11)12)7(6)4-13-5/h2-4H,1H3,(H,11,12)
InChIKeyKLGOWSMFXUYBOM-UHFFFAOYSA-N
XLogP1.83
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-7-methylisoquinoline-1-carboxylic acid
CID 82572033
7-chloro-5-methylisoquinoline-1-carboxylic acid
CID 125426657
2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 130047563
3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
CID 118326443
5-bromoisoquinoline-1-carboxylic acid
CID 71303705
1-methylpyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 137347030
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
5-bromo-7-methoxyisoquinoline-1-carboxylic acid
CID 125426673
5,8-dimethoxyisoquinoline-1-carboxylic acid
CID 82390143
4-methyl-3-(methylamino)pyridine-2-carboxylic acid
CID 169147697
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline-6-carboxylic acid
CID 82572007

Frequently Asked Questions

What is the IUPAC name of 1-methylfuro[3,4-c]pyridine-4-carboxylic acid?
The IUPAC name of 1-methylfuro[3,4-c]pyridine-4-carboxylic acid (CID 82410647) is 1-methylfuro[3,4-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-methylfuro[3,4-c]pyridine-4-carboxylic acid?
The canonical SMILES for 1-methylfuro[3,4-c]pyridine-4-carboxylic acid is Cc1occ2c(C(=O)O)nccc12.
What is the InChIKey of 1-methylfuro[3,4-c]pyridine-4-carboxylic acid?
The InChIKey is KLGOWSMFXUYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5-6-2-3-10-8(9(11)12)7(6)4-13-5/h2-4H,1H3,(H,11,12).
What are the key properties of 1-methylfuro[3,4-c]pyridine-4-carboxylic acid?
1-methylfuro[3,4-c]pyridine-4-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylfuro[3,4-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 82410647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).