(4,6-dimethyl-5-nitro-3-pyridinyl)methanol

C8H10N2O3 — CID 142530016

IUPAC(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
SMILESCc1ncc(CO)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-7(4-11)3-9-6(2)8(5)10(12)13/h3,11H,4H2,1-2H3
InChIKeyVPQDBMOQHRPXGS-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.10
Rot. Bonds2

About (4,6-dimethyl-5-nitro-3-pyridinyl)methanol

(4,6-dimethyl-5-nitro-3-pyridinyl)methanol (PubChem CID 142530016) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (4,6-dimethyl-5-nitro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
PubChem CID142530016
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
SMILESCc1ncc(CO)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O3/c1-5-7(4-11)3-9-6(2)8(5)10(12)13/h3,11H,4H2,1-2H3
InChIKeyVPQDBMOQHRPXGS-UHFFFAOYSA-N
XLogP1.10
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.10
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

(4,6-dimethyl-5-nitro-3-pyridinyl)boronic acid
CID 140921399
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
azane;2,3,5-trimethyl-4-nitropyridine
CID 175754992
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
2-methoxy-4-methyl-3-nitro-5-propylpyridine
CID 146699888
5,6-dimethyl-4-nitropyridine-3-sulfonic acid;methane
CID 174398502
1-(2-methyl-3-nitro-4-pyridinyl)propan-2-one
CID 21364026
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-5-nitro-3-pyridinyl)methanol?
The IUPAC name of (4,6-dimethyl-5-nitro-3-pyridinyl)methanol (CID 142530016) is (4,6-dimethyl-5-nitro-3-pyridinyl)methanol.
What is the SMILES notation for (4,6-dimethyl-5-nitro-3-pyridinyl)methanol?
The canonical SMILES for (4,6-dimethyl-5-nitro-3-pyridinyl)methanol is Cc1ncc(CO)c(C)c1[N+](=O)[O-].
What is the InChIKey of (4,6-dimethyl-5-nitro-3-pyridinyl)methanol?
The InChIKey is VPQDBMOQHRPXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-7(4-11)3-9-6(2)8(5)10(12)13/h3,11H,4H2,1-2H3.
What are the key properties of (4,6-dimethyl-5-nitro-3-pyridinyl)methanol?
(4,6-dimethyl-5-nitro-3-pyridinyl)methanol has a molecular weight of 182.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-5-nitro-3-pyridinyl)methanol is sourced from PubChem (CID 142530016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).