2-(trideuteriomethyl)pyridine-4-carboxylic acid

C7H7NO2 — CID 175823393

IUPAC2-(trideuteriomethyl)pyridine-4-carboxylic acid
SMILES[2H]C([2H])([2H])c1cc(C(=O)O)ccn1
InChIInChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)/i1D3
InChIKeyPMDHIMMPXRSDML-FIBGUPNXSA-N
MW140.16 g/mol
LogP1.09
Rot. Bonds2

About 2-(trideuteriomethyl)pyridine-4-carboxylic acid

2-(trideuteriomethyl)pyridine-4-carboxylic acid (PubChem CID 175823393) has the molecular formula C7H7NO2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 2-(trideuteriomethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(trideuteriomethyl)pyridine-4-carboxylic acid
PubChem CID175823393
Molecular FormulaC7H7NO2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name2-(trideuteriomethyl)pyridine-4-carboxylic acid
SMILES[2H]C([2H])([2H])c1cc(C(=O)O)ccn1
InChIInChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)/i1D3
InChIKeyPMDHIMMPXRSDML-FIBGUPNXSA-N
XLogP1.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotinic Acid
CID 938
Quinolinic Acid
CID 1066
Trigonelline
CID 5570
Fusaric Acid
CID 3442
Picolinic acid
CID 1018
Isonicotinic Acid
CID 5922
3-Pyridineacetic acid
CID 108
2,4-Pyridinedicarboxylic acid
CID 10365
Oxiniacic Acid
CID 16976
Nicotinate
CID 937
4-Quinolinecarboxylic acid
CID 10243
3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
CID 2777549

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(trideuteriomethyl)pyridine-4-carboxylic acid (CID 175823393) is 2-(trideuteriomethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(trideuteriomethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(trideuteriomethyl)pyridine-4-carboxylic acid is [2H]C([2H])([2H])c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(trideuteriomethyl)pyridine-4-carboxylic acid?
The InChIKey is PMDHIMMPXRSDML-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4H,1H3,(H,9,10)/i1D3.
What are the key properties of 2-(trideuteriomethyl)pyridine-4-carboxylic acid?
2-(trideuteriomethyl)pyridine-4-carboxylic acid has a molecular weight of 140.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 175823393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).