3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol

C16H17N3O4 — CID 97069419

IUPAC3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
SMILESCc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1
InChIInChI=1S/C16H17N3O4/c1-11-5-6-14(19(21)22)16(17-11)18-7-8-23-15(10-18)12-3-2-4-13(20)9-12/h2-6,9,15,20H,7-8,10H2,1H3/t15-/m0/s1
InChIKeyIUVYXZUDHBJTOQ-HNNXBMFYSA-N
MW315.33 g/mol
LogP2.58
Rot. Bonds3

About 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol

3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol (PubChem CID 97069419) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
PubChem CID97069419
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
SMILESCc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1
InChIInChI=1S/C16H17N3O4/c1-11-5-6-14(19(21)22)16(17-11)18-7-8-23-15(10-18)12-3-2-4-13(20)9-12/h2-6,9,15,20H,7-8,10H2,1H3/t15-/m0/s1
InChIKeyIUVYXZUDHBJTOQ-HNNXBMFYSA-N
XLogP2.58
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
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

3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
CID 97069435
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
CID 133343722
6-[2-(3-hydroxyphenyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122054423
3-[(2R)-4-(3-fluoro-2-pyridinyl)morpholin-2-yl]phenol
CID 97069433
3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
CID 97069431
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
[3-[2-(3-methoxyphenyl)morpholin-4-yl]-4-nitrophenyl]methanol
CID 133438449
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 97066824
(2R)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-phenylmorpholine
CID 97015229

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol?
The IUPAC name of 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol (CID 97069419) is 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol.
What is the SMILES notation for 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol?
The canonical SMILES for 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol is Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1.
What is the InChIKey of 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol?
The InChIKey is IUVYXZUDHBJTOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-5-6-14(19(21)22)16(17-11)18-7-8-23-15(10-18)12-3-2-4-13(20)9-12/h2-6,9,15,20H,7-8,10H2,1H3/t15-/m0/s1.
What are the key properties of 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol?
3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol has a molecular weight of 315.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol is sourced from PubChem (CID 97069419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).