2,3-dimethylpyridine;formamide;hydrate

C8H14N2O2 — CID 175110807

IUPAC2,3-dimethylpyridine;formamide;hydrate
SMILESCc1cccnc1C.NC=O.O
InChIInChI=1S/C7H9N.CH3NO.H2O/c1-6-4-3-5-8-7(6)2;2-1-3;/h3-5H,1-2H3;1H,(H2,2,3);1H2
InChIKeySADWLFKDKMWSMZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.02
Rot. Bonds

About 2,3-dimethylpyridine;formamide;hydrate

2,3-dimethylpyridine;formamide;hydrate (PubChem CID 175110807) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,3-dimethylpyridine;formamide;hydrate.

Molecular Properties

Compound Name2,3-dimethylpyridine;formamide;hydrate
PubChem CID175110807
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2,3-dimethylpyridine;formamide;hydrate
SMILESCc1cccnc1C.NC=O.O
InChIInChI=1S/C7H9N.CH3NO.H2O/c1-6-4-3-5-8-7(6)2;2-1-3;/h3-5H,1-2H3;1H,(H2,2,3);1H2
InChIKeySADWLFKDKMWSMZ-UHFFFAOYSA-N
XLogP-0.02
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylpyridine;1,4-xylene
CID 174745079
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
benzene-1,4-diamine;2-methylpyridine-3-carbaldehyde
CID 143052286
N'-(3-methyl-2-pyridinyl)methanimidamide
CID 55281981
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
2-methylpyridin-3-amine;hydroiodide
CID 172837374
methoxymethane;3-methylpyridin-2-amine
CID 142348172
azane;2-methylpyridin-3-amine
CID 67996717
carbon dioxide;2-methylpyridin-3-amine
CID 157100546
3-methylpyridine-2-sulfonic acid
CID 2762782

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;formamide;hydrate?
The IUPAC name of 2,3-dimethylpyridine;formamide;hydrate (CID 175110807) is 2,3-dimethylpyridine;formamide;hydrate.
What is the SMILES notation for 2,3-dimethylpyridine;formamide;hydrate?
The canonical SMILES for 2,3-dimethylpyridine;formamide;hydrate is Cc1cccnc1C.NC=O.O.
What is the InChIKey of 2,3-dimethylpyridine;formamide;hydrate?
The InChIKey is SADWLFKDKMWSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CH3NO.H2O/c1-6-4-3-5-8-7(6)2;2-1-3;/h3-5H,1-2H3;1H,(H2,2,3);1H2.
What are the key properties of 2,3-dimethylpyridine;formamide;hydrate?
2,3-dimethylpyridine;formamide;hydrate has a molecular weight of 170.21 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;formamide;hydrate is sourced from PubChem (CID 175110807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).