1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one

C13H18N2O3 — CID 70630722

IUPAC1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one
SMILESCCCN1C=CC(O)=CC1O.O=c1cccc[nH]1
InChIInChI=1S/C8H13NO2.C5H5NO/c1-2-4-9-5-3-7(10)6-8(9)11;7-5-3-1-2-4-6-5/h3,5-6,8,10-11H,2,4H2,1H3;1-4H,(H,6,7)
InChIKeyOTTLQMAVXVEKAX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds2

About 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one

1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one (PubChem CID 70630722) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one.

Molecular Properties

Compound Name1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one
PubChem CID70630722
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one
SMILESCCCN1C=CC(O)=CC1O.O=c1cccc[nH]1
InChIInChI=1S/C8H13NO2.C5H5NO/c1-2-4-9-5-3-7(10)6-8(9)11;7-5-3-1-2-4-6-5/h3,5-6,8,10-11H,2,4H2,1H3;1-4H,(H,6,7)
InChIKeyOTTLQMAVXVEKAX-UHFFFAOYSA-N
XLogP1.36
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one?
The IUPAC name of 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one (CID 70630722) is 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one.
What is the SMILES notation for 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one?
The canonical SMILES for 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one is CCCN1C=CC(O)=CC1O.O=c1cccc[nH]1.
What is the InChIKey of 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one?
The InChIKey is OTTLQMAVXVEKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C5H5NO/c1-2-4-9-5-3-7(10)6-8(9)11;7-5-3-1-2-4-6-5/h3,5-6,8,10-11H,2,4H2,1H3;1-4H,(H,6,7).
What are the key properties of 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one?
1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-pyridine-2,4-diol;1H-pyridin-2-one is sourced from PubChem (CID 70630722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).