(1R)-2-nitro-1-pyridin-4-ylethanol

C7H8N2O3 — CID 709368

IUPAC(1R)-2-nitro-1-pyridin-4-ylethanol
SMILESO=[N+]([O-])C[C@H](O)c1ccncc1
InChIInChI=1S/C7H8N2O3/c10-7(5-9(11)12)6-1-3-8-4-2-6/h1-4,7,10H,5H2/t7-/m0/s1
InChIKeySGMASOGGNOSBGC-ZETCQYMHSA-N
MW168.15 g/mol
LogP0.39
Rot. Bonds3

About (1R)-2-nitro-1-pyridin-4-ylethanol

(1R)-2-nitro-1-pyridin-4-ylethanol (PubChem CID 709368) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (1R)-2-nitro-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name(1R)-2-nitro-1-pyridin-4-ylethanol
PubChem CID709368
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(1R)-2-nitro-1-pyridin-4-ylethanol
SMILESO=[N+]([O-])C[C@H](O)c1ccncc1
InChIInChI=1S/C7H8N2O3/c10-7(5-9(11)12)6-1-3-8-4-2-6/h1-4,7,10H,5H2/t7-/m0/s1
InChIKeySGMASOGGNOSBGC-ZETCQYMHSA-N
XLogP0.39
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.39
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

1-(4-iodophenyl)-2-nitroethanol
CID 101345465
1-(4-methylphenyl)-2-nitroethanol
CID 11480820
1,3-dipyridin-4-ylpropane-1,3-diol
CID 153433085
(1S,2R)-2-nitro-1-pyridin-4-ylpropane-1,3-diol
CID 93003157
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
CID 11335479
3-hydroxy-1-(2-nitrophenyl)-3-pyridin-4-ylpropan-1-one
CID 117062932
(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
1-[4-(3-methoxy-2-pyridinyl)phenyl]-2-nitroethanol
CID 69454199
2-methyl-2-nitro-1-pyridin-4-ylpropan-1-ol
CID 12946485
4-[nitro(phenyl)methyl]pyridine
CID 20978505
(1S)-2-(3-methyl-4-nitroanilino)-1-pyridin-4-ylethanol
CID 97325892
[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326

Frequently Asked Questions

What is the IUPAC name of (1R)-2-nitro-1-pyridin-4-ylethanol?
The IUPAC name of (1R)-2-nitro-1-pyridin-4-ylethanol (CID 709368) is (1R)-2-nitro-1-pyridin-4-ylethanol.
What is the SMILES notation for (1R)-2-nitro-1-pyridin-4-ylethanol?
The canonical SMILES for (1R)-2-nitro-1-pyridin-4-ylethanol is O=[N+]([O-])C[C@H](O)c1ccncc1.
What is the InChIKey of (1R)-2-nitro-1-pyridin-4-ylethanol?
The InChIKey is SGMASOGGNOSBGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7(5-9(11)12)6-1-3-8-4-2-6/h1-4,7,10H,5H2/t7-/m0/s1.
What are the key properties of (1R)-2-nitro-1-pyridin-4-ylethanol?
(1R)-2-nitro-1-pyridin-4-ylethanol has a molecular weight of 168.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-nitro-1-pyridin-4-ylethanol is sourced from PubChem (CID 709368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).