3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid

C8H7N5O3 — CID 175581544

IUPAC3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2nn[nH]n2)cnc(C(=O)O)c1O
InChIInChI=1S/C8H7N5O3/c1-3-4(7-10-12-13-11-7)2-9-5(6(3)14)8(15)16/h2,14H,1H3,(H,15,16)(H,10,11,12,13)
InChIKeyKBRDMUVOFVYRCQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.03
Rot. Bonds2

About 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid

3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 175581544) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
PubChem CID175581544
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2nn[nH]n2)cnc(C(=O)O)c1O
InChIInChI=1S/C8H7N5O3/c1-3-4(7-10-12-13-11-7)2-9-5(6(3)14)8(15)16/h2,14H,1H3,(H,15,16)(H,10,11,12,13)
InChIKeyKBRDMUVOFVYRCQ-UHFFFAOYSA-N
XLogP-0.03
TPSA124.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid (CID 175581544) is 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid is Cc1c(-c2nn[nH]n2)cnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is KBRDMUVOFVYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c1-3-4(7-10-12-13-11-7)2-9-5(6(3)14)8(15)16/h2,14H,1H3,(H,15,16)(H,10,11,12,13).
What are the key properties of 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid?
3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 221.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175581544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).