2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone

C14H11N3O4 — CID 99576650

IUPAC2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
SMILESO=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cnccc21
InChIInChI=1S/C14H11N3O4/c18-13-2-1-9(7-12(13)17(20)21)14(19)16-6-4-10-8-15-5-3-11(10)16/h1-3,5,7-8,18H,4,6H2
InChIKeyBJNCROXEOIVTHN-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.90
Rot. Bonds2

About 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone

2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone (PubChem CID 99576650) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
PubChem CID99576650
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
SMILESO=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cnccc21
InChIInChI=1S/C14H11N3O4/c18-13-2-1-9(7-12(13)17(20)21)14(19)16-6-4-10-8-15-5-3-11(10)16/h1-3,5,7-8,18H,4,6H2
InChIKeyBJNCROXEOIVTHN-UHFFFAOYSA-N
XLogP1.90
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,3-dihydroindol-1-yl-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 7996631
2,3-dihydro-1,4-benzoxazin-4-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 11580279
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]methanone
CID 2979752
(4-imidazol-1-yl-3-nitrophenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438422
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone
CID 143489653
(6-nitro-2,3-dihydroindol-1-yl)-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 16582546
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-nitrobenzonitrile
CID 23119875
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
(4-morpholin-4-yl-3-nitrophenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 16582545

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone?
The IUPAC name of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone (CID 99576650) is 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone.
What is the SMILES notation for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone?
The canonical SMILES for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone is O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cnccc21.
What is the InChIKey of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone?
The InChIKey is BJNCROXEOIVTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-2-1-9(7-12(13)17(20)21)14(19)16-6-4-10-8-15-5-3-11(10)16/h1-3,5,7-8,18H,4,6H2.
What are the key properties of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone?
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone has a molecular weight of 285.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone is sourced from PubChem (CID 99576650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).