(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate

C11H10N2O5 — CID 54129178

IUPAC(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)On2c(O)ccc2O)c[nH]1
InChIInChI=1S/C11H10N2O5/c1-6-4-8(14)7(5-12-6)11(17)18-13-9(15)2-3-10(13)16/h2-5,15-16H,1H3,(H,12,14)
InChIKeyNTCVXNHFHGUOLA-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.17
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate

(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 54129178) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID54129178
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCc1cc(=O)c(C(=O)On2c(O)ccc2O)c[nH]1
InChIInChI=1S/C11H10N2O5/c1-6-4-8(14)7(5-12-6)11(17)18-13-9(15)2-3-10(13)16/h2-5,15-16H,1H3,(H,12,14)
InChIKeyNTCVXNHFHGUOLA-UHFFFAOYSA-N
XLogP0.17
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 54129178) is (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate is Cc1cc(=O)c(C(=O)On2c(O)ccc2O)c[nH]1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is NTCVXNHFHGUOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-6-4-8(14)7(5-12-6)11(17)18-13-9(15)2-3-10(13)16/h2-5,15-16H,1H3,(H,12,14).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 6-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 54129178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).