(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C11H8N4O3S — CID 95289569

IUPAC(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2ncccc21
InChIInChI=1S/C11H8N4O3S/c16-11-7-2-1-3-12-10(7)13-9(14-11)6-4-8(15(17)18)19-5-6/h1-5,9H,(H,12,13)(H,14,16)/t9-/m1/s1
InChIKeyOYJIVGZMPHAETG-SECBINFHSA-N
MW276.28 g/mol
LogP1.91
Rot. Bonds2

About (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 95289569) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID95289569
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2ncccc21
InChIInChI=1S/C11H8N4O3S/c16-11-7-2-1-3-12-10(7)13-9(14-11)6-4-8(15(17)18)19-5-6/h1-5,9H,(H,12,13)(H,14,16)/t9-/m1/s1
InChIKeyOYJIVGZMPHAETG-SECBINFHSA-N
XLogP1.91
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 97211396
(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157848
6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 10064275
2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 122182442
2-(3-nitro-4-quinolin-8-ylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 23793685
(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 97050579
2-(1-methyl-3-thiophen-2-ylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 75439548
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95278518
6-nitro-2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 2796989
(2R)-2-(5-pyridin-3-ylfuran-2-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95781853
6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
CID 45113124
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 95289569) is (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1N[C@H](c2csc([N+](=O)[O-])c2)Nc2ncccc21.
What is the InChIKey of (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OYJIVGZMPHAETG-SECBINFHSA-N. The full InChI is InChI=1S/C11H8N4O3S/c16-11-7-2-1-3-12-10(7)13-9(14-11)6-4-8(15(17)18)19-5-6/h1-5,9H,(H,12,13)(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 276.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-nitrothiophen-3-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95289569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).