1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid

C9H9N5O3 — CID 107043943

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCn1nnc(Cn2cc(C(=O)O)ccc2=O)n1
InChIInChI=1S/C9H9N5O3/c1-13-11-7(10-12-13)5-14-4-6(9(16)17)2-3-8(14)15/h2-4H,5H2,1H3,(H,16,17)
InChIKeyJHQXBPYYADURLY-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.88
Rot. Bonds3

About 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid

1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 107043943) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID107043943
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCn1nnc(Cn2cc(C(=O)O)ccc2=O)n1
InChIInChI=1S/C9H9N5O3/c1-13-11-7(10-12-13)5-14-4-6(9(16)17)2-3-8(14)15/h2-4H,5H2,1H3,(H,16,17)
InChIKeyJHQXBPYYADURLY-UHFFFAOYSA-N
XLogP-0.88
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 107045032
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxopyridine-3-carboxylic acid
CID 114539880
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]acetic acid
CID 107043934
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
4-methoxy-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107040973
6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
CID 55173678
6-oxo-1-(1,3-thiazol-5-ylmethyl)pyridine-3-carboxylic acid
CID 112641073
1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107043012
4-amino-3-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107044786
2-[(2-methyltetrazol-5-yl)methylsulfanyl]pyridine-4-carboxylic acid
CID 107041022
1-(2-ethylbutyl)-6-oxopyridine-3-carboxylic acid
CID 82928739
1-[(E)-but-2-enyl]-6-oxopyridine-3-carboxylic acid
CID 28545450

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid (CID 107043943) is 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid is Cn1nnc(Cn2cc(C(=O)O)ccc2=O)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is JHQXBPYYADURLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-13-11-7(10-12-13)5-14-4-6(9(16)17)2-3-8(14)15/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 107043943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).