(4-methyl-3-nitro-2-pyridinyl)methanol

C7H8N2O3 — CID 119088266

IUPAC(4-methyl-3-nitro-2-pyridinyl)methanol
SMILESCc1ccnc(CO)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-2-3-8-6(4-10)7(5)9(11)12/h2-3,10H,4H2,1H3
InChIKeyIRDZGMWLNGZVRH-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.79
Rot. Bonds2

About (4-methyl-3-nitro-2-pyridinyl)methanol

(4-methyl-3-nitro-2-pyridinyl)methanol (PubChem CID 119088266) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (4-methyl-3-nitro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methyl-3-nitro-2-pyridinyl)methanol
PubChem CID119088266
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(4-methyl-3-nitro-2-pyridinyl)methanol
SMILESCc1ccnc(CO)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-2-3-8-6(4-10)7(5)9(11)12/h2-3,10H,4H2,1H3
InChIKeyIRDZGMWLNGZVRH-UHFFFAOYSA-N
XLogP0.79
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.79
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

2-methyl-3-[(4-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 66105083
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
2-methyl-1-[methyl-(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 78966791
trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
CID 177336110
4-methyl-3-nitro-2-pyrrol-1-ylpyridine
CID 14222918
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
CID 107713600

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-nitro-2-pyridinyl)methanol?
The IUPAC name of (4-methyl-3-nitro-2-pyridinyl)methanol (CID 119088266) is (4-methyl-3-nitro-2-pyridinyl)methanol.
What is the SMILES notation for (4-methyl-3-nitro-2-pyridinyl)methanol?
The canonical SMILES for (4-methyl-3-nitro-2-pyridinyl)methanol is Cc1ccnc(CO)c1[N+](=O)[O-].
What is the InChIKey of (4-methyl-3-nitro-2-pyridinyl)methanol?
The InChIKey is IRDZGMWLNGZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-2-3-8-6(4-10)7(5)9(11)12/h2-3,10H,4H2,1H3.
What are the key properties of (4-methyl-3-nitro-2-pyridinyl)methanol?
(4-methyl-3-nitro-2-pyridinyl)methanol has a molecular weight of 168.15 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-nitro-2-pyridinyl)methanol is sourced from PubChem (CID 119088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).