2-(3-nitro-10H-phenoxazin-1-yl)acetic acid

C14H10N2O5 — CID 142417168

IUPAC2-(3-nitro-10H-phenoxazin-1-yl)acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])cc2c1Nc1ccccc1O2
InChIInChI=1S/C14H10N2O5/c17-13(18)6-8-5-9(16(19)20)7-12-14(8)15-10-3-1-2-4-11(10)21-12/h1-5,7,15H,6H2,(H,17,18)
InChIKeyRLQMLVNYDQIQLX-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid

2-(3-nitro-10H-phenoxazin-1-yl)acetic acid (PubChem CID 142417168) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-nitro-10H-phenoxazin-1-yl)acetic acid
PubChem CID142417168
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name2-(3-nitro-10H-phenoxazin-1-yl)acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])cc2c1Nc1ccccc1O2
InChIInChI=1S/C14H10N2O5/c17-13(18)6-8-5-9(16(19)20)7-12-14(8)15-10-3-1-2-4-11(10)21-12/h1-5,7,15H,6H2,(H,17,18)
InChIKeyRLQMLVNYDQIQLX-UHFFFAOYSA-N
XLogP3.07
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
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

7-(2-methoxyethoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 547795
9-nitro-7-[4-(3-oxobutyl)phenoxy]-5H-benzo[b][1,4]benzoxazepin-6-one
CID 1043736
7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid
CID 10117509
1,2-diethyl-7-nitro-10H-phenoxazine
CID 175101316
7-(4-chlorophenoxy)-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
CID 1279368
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
2-nitrobenzo[b][1]benzoxepine-4-carboxylic acid
CID 4912758
carbonic acid;methane;nitrobenzene
CID 173344007
2-(carboxymethyl)-4-nitrobenzoic acid
CID 7172025
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
(2E)-2-[(4-nitrophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10612862

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid?
The IUPAC name of 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid (CID 142417168) is 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid?
The canonical SMILES for 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid is O=C(O)Cc1cc([N+](=O)[O-])cc2c1Nc1ccccc1O2.
What is the InChIKey of 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid?
The InChIKey is RLQMLVNYDQIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-13(18)6-8-5-9(16(19)20)7-12-14(8)15-10-3-1-2-4-11(10)21-12/h1-5,7,15H,6H2,(H,17,18).
What are the key properties of 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid?
2-(3-nitro-10H-phenoxazin-1-yl)acetic acid has a molecular weight of 286.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-10H-phenoxazin-1-yl)acetic acid is sourced from PubChem (CID 142417168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).