benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine

C15H11N5O6 — CID 139081522

IUPACbenzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.c1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H6O6.C6H5N5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-5(4-7-3-1)6-8-10-11-9-6/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,8,9,10,11)
InChIKeyQVXJPQZGQVXUPY-UHFFFAOYSA-N
MW357.28 g/mol
LogP1.04
Rot. Bonds4

About benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine

benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine (PubChem CID 139081522) has the molecular formula C15H11N5O6 and a molecular weight of 357.28 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine
PubChem CID139081522
Molecular FormulaC15H11N5O6
Molecular Weight357.28 g/mol
Exact Mass357.07
IUPAC Namebenzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.c1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C9H6O6.C6H5N5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-5(4-7-3-1)6-8-10-11-9-6/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,8,9,10,11)
InChIKeyQVXJPQZGQVXUPY-UHFFFAOYSA-N
XLogP1.04
TPSA179.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenyl]benzoic acid
CID 164609189
5-(1H-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxylic acid
CID 63750111
5-(3-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-4-yl)isophthalic acid
CID 101544505
5-(Pyridin-3-yl)isophthalic acid
CID 101790245
5-(2-Pyridin-3-ylethynyl)benzene-1,3-dicarboxylic acid
CID 101803648
4-(5-(Pyridin-4-yl)-4h-1,2,4-triazol-3-yl)benzoic acid
CID 102224290
3-(2H-tetrazol-5-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68731011
4-[[5-[5-[(4-Fluorophenyl)methyl]-3-pyridinyl]tetrazol-2-yl]methyl]benzoic acid
CID 71218907
3-Fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid
CID 167345476
5-(3-Pyridin-3-yl-1,2,4-triazol-4-yl)benzene-1,3-dicarboxylic acid
CID 102291057
Benzene-1,3-dicarboxylic acid;3,5-dipyridin-4-yl-1,2,4-triazol-4-amine
CID 139194214
5-Aminobenzene-1,3-dicarboxylic acid;3,5-dipyridin-4-yl-1,2,4-triazol-4-amine
CID 139194215

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine (CID 139081522) is benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.c1cncc(-c2nn[nH]n2)c1.
What is the InChIKey of benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is QVXJPQZGQVXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O6.C6H5N5/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2-5(4-7-3-1)6-8-10-11-9-6/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,8,9,10,11).
What are the key properties of benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine?
benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine has a molecular weight of 357.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarboxylic acid;3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 139081522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).