6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride

C12H9ClN4O — CID 21496112

IUPAC6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2cc(-c3ccncn3)cnc2[nH]1
InChIInChI=1S/C12H8N4O.ClH/c17-11-2-1-8-5-9(6-14-12(8)16-11)10-3-4-13-7-15-10;/h1-7H,(H,14,16,17);1H
InChIKeyPEWQXYDWIUKVDQ-UHFFFAOYSA-N
MW260.68 g/mol
LogP1.80
Rot. Bonds1

About 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride

6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride (PubChem CID 21496112) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride
PubChem CID21496112
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2cc(-c3ccncn3)cnc2[nH]1
InChIInChI=1S/C12H8N4O.ClH/c17-11-2-1-8-5-9(6-14-12(8)16-11)10-3-4-13-7-15-10;/h1-7H,(H,14,16,17);1H
InChIKeyPEWQXYDWIUKVDQ-UHFFFAOYSA-N
XLogP1.80
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride?
The IUPAC name of 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride (CID 21496112) is 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride is Cl.O=c1ccc2cc(-c3ccncn3)cnc2[nH]1.
What is the InChIKey of 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride?
The InChIKey is PEWQXYDWIUKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O.ClH/c17-11-2-1-8-5-9(6-14-12(8)16-11)10-3-4-13-7-15-10;/h1-7H,(H,14,16,17);1H.
What are the key properties of 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride?
6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride has a molecular weight of 260.68 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-4-yl-1H-1,8-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 21496112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).