3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine

C20H16N2O4 — CID 91345018

IUPAC3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc2c(c1)CC[C@@H](c1ccccc1)O2
InChIInChI=1S/C20H16N2O4/c23-22(24)17-7-4-12-21-20(17)25-16-9-11-19-15(13-16)8-10-18(26-19)14-5-2-1-3-6-14/h1-7,9,11-13,18H,8,10H2/t18-/m0/s1
InChIKeyXCEIPUROHKISQD-SFHVURJKSA-N
MW348.36 g/mol
LogP4.85
Rot. Bonds4

About 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine

3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (PubChem CID 91345018) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.

Molecular Properties

Compound Name3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
PubChem CID91345018
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine
SMILESO=[N+]([O-])c1cccnc1Oc1ccc2c(c1)CC[C@@H](c1ccccc1)O2
InChIInChI=1S/C20H16N2O4/c23-22(24)17-7-4-12-21-20(17)25-16-9-11-19-15(13-16)8-10-18(26-19)14-5-2-1-3-6-14/h1-7,9,11-13,18H,8,10H2/t18-/m0/s1
InChIKeyXCEIPUROHKISQD-SFHVURJKSA-N
XLogP4.85
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
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

6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine-3-carboxylic acid
CID 159522239
N,N-dimethyl-6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridin-3-amine
CID 69017074
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
6-[[2-[3-[(5-nitro-2-pyridinyl)oxy]phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine-2-carboxamide
CID 173129786
(2R)-2-[[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 71292751
(4S)-4-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
CID 69016616
N-[(2S)-2-aminocyclopropyl]-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxamide
CID 91754875
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
(2S)-2-amino-5-oxo-5-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]amino]pentanoic acid
CID 69015839
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The IUPAC name of 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine (CID 91345018) is 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine.
What is the SMILES notation for 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The canonical SMILES for 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is O=[N+]([O-])c1cccnc1Oc1ccc2c(c1)CC[C@@H](c1ccccc1)O2.
What is the InChIKey of 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
The InChIKey is XCEIPUROHKISQD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-22(24)17-7-4-12-21-20(17)25-16-9-11-19-15(13-16)8-10-18(26-19)14-5-2-1-3-6-14/h1-7,9,11-13,18H,8,10H2/t18-/m0/s1.
What are the key properties of 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine?
3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine has a molecular weight of 348.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine is sourced from PubChem (CID 91345018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).