[6-(3-nitrophenyl)-3-pyridinyl]methanol

C12H10N2O3 — CID 24729921

IUPAC[6-(3-nitrophenyl)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cccc(-c2ccc(CO)cn2)c1
InChIInChI=1S/C12H10N2O3/c15-8-9-4-5-12(13-7-9)10-2-1-3-11(6-10)14(16)17/h1-7,15H,8H2
InChIKeyHICKPOBFMSLKQA-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.15
Rot. Bonds3

About [6-(3-nitrophenyl)-3-pyridinyl]methanol

[6-(3-nitrophenyl)-3-pyridinyl]methanol (PubChem CID 24729921) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is [6-(3-nitrophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-nitrophenyl)-3-pyridinyl]methanol
PubChem CID24729921
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name[6-(3-nitrophenyl)-3-pyridinyl]methanol
SMILESO=[N+]([O-])c1cccc(-c2ccc(CO)cn2)c1
InChIInChI=1S/C12H10N2O3/c15-8-9-4-5-12(13-7-9)10-2-1-3-11(6-10)14(16)17/h1-7,15H,8H2
InChIKeyHICKPOBFMSLKQA-UHFFFAOYSA-N
XLogP2.15
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
1-[2-(3-nitrophenyl)pyrimidin-5-yl]propan-2-amine
CID 62757546
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
[4-(5-propyl-2-pyridinyl)phenyl] 3-nitrobenzoate
CID 3992910
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]ethanol
CID 115622124
[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
CID 142704333
2-bromo-4-(3-nitrophenyl)-1,3-thiazole;ethanol
CID 176652782
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
CID 132589086
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 2774286

Frequently Asked Questions

What is the IUPAC name of [6-(3-nitrophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(3-nitrophenyl)-3-pyridinyl]methanol (CID 24729921) is [6-(3-nitrophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-nitrophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-nitrophenyl)-3-pyridinyl]methanol is O=[N+]([O-])c1cccc(-c2ccc(CO)cn2)c1.
What is the InChIKey of [6-(3-nitrophenyl)-3-pyridinyl]methanol?
The InChIKey is HICKPOBFMSLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-8-9-4-5-12(13-7-9)10-2-1-3-11(6-10)14(16)17/h1-7,15H,8H2.
What are the key properties of [6-(3-nitrophenyl)-3-pyridinyl]methanol?
[6-(3-nitrophenyl)-3-pyridinyl]methanol has a molecular weight of 230.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-nitrophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 24729921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).