3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid

C14H10FN5O2 — CID 167345476

IUPAC3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid
SMILESCn1nnc(-c2ccc(-c3ccc(C(=O)O)cc3F)cn2)n1
InChIInChI=1S/C14H10FN5O2/c1-20-18-13(17-19-20)12-5-3-9(7-16-12)10-4-2-8(14(21)22)6-11(10)15/h2-7H,1H3,(H,21,22)
InChIKeyIZHAFANBUSKNMZ-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.78
Rot. Bonds3

About 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid

3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid (PubChem CID 167345476) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid
PubChem CID167345476
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid
SMILESCn1nnc(-c2ccc(-c3ccc(C(=O)O)cc3F)cn2)n1
InChIInChI=1S/C14H10FN5O2/c1-20-18-13(17-19-20)12-5-3-9(7-16-12)10-4-2-8(14(21)22)6-11(10)15/h2-7H,1H3,(H,21,22)
InChIKeyIZHAFANBUSKNMZ-UHFFFAOYSA-N
XLogP1.78
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-{2-[(3-Fluorobenzyl)carbamoyl]pyridin-4-Yl}-2h-Tetrazol-2-Yl)methyl]benzoic Acid
CID 46225419
3''''-Fluoro-5''''-(5-pyridin-2-yl-tetrazol-2-yl)-biphenyl-3-carboxylic acid methyl ester
CID 44395605
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carboxylic acid methyl ester
CID 44395609
4-((5-(2-(4-fluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225418
4-((5-(2-(3,4-difluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225437
4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225455
4-((5-(2-(3,4-difluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225474
3-Fluoro-4-(5-imidazol-1-yl-3-methyl-2-pyridinyl)benzoic acid
CID 118978640
Methyl 3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]benzoate
CID 44395559
4-((5-(2-(3-(trifluoromethyl)benzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225453
4-((5-(2-(3-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225473
4-[[5-[2-[(3-Fluorophenyl)methylcarbamoyl]-4-pyridinyl]tetrazol-2-yl]methyl]benzoate
CID 72200088

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid (CID 167345476) is 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid is Cn1nnc(-c2ccc(-c3ccc(C(=O)O)cc3F)cn2)n1.
What is the InChIKey of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid?
The InChIKey is IZHAFANBUSKNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2/c1-20-18-13(17-19-20)12-5-3-9(7-16-12)10-4-2-8(14(21)22)6-11(10)15/h2-7H,1H3,(H,21,22).
What are the key properties of 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid?
3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid has a molecular weight of 299.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 167345476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).