3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid

C8H6FN5O2S — CID 105382751

IUPAC3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
SMILESCn1nnnc1Sc1nccc(C(=O)O)c1F
InChIInChI=1S/C8H6FN5O2S/c1-14-8(11-12-13-14)17-6-5(9)4(7(15)16)2-3-10-6/h2-3H,1H3,(H,15,16)
InChIKeyJNMYSBNHWCUEDZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.59
Rot. Bonds3

About 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid

3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 105382751) has the molecular formula C8H6FN5O2S and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID105382751
Molecular FormulaC8H6FN5O2S
Molecular Weight255.23 g/mol
Exact Mass255.02
IUPAC Name3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
SMILESCn1nnnc1Sc1nccc(C(=O)O)c1F
InChIInChI=1S/C8H6FN5O2S/c1-14-8(11-12-13-14)17-6-5(9)4(7(15)16)2-3-10-6/h2-3H,1H3,(H,15,16)
InChIKeyJNMYSBNHWCUEDZ-UHFFFAOYSA-N
XLogP0.59
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382764
2-(1-methyltetrazol-5-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79880064
3-fluoro-2-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
CID 105382754
S-(4-fluorophenyl) 2-(1-methyltetrazol-5-yl)sulfanylpyridine-3-carbothioate
CID 1211557
3-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 105382795
2-methyl-4-(1-methyltetrazol-5-yl)sulfanylbenzoic acid
CID 81293775
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluoropyridine-4-carboxylic acid
CID 105382801
3-fluoro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886230
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
CID 105382776
3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
CID 80515873
3-fluoro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136886229
2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid (CID 105382751) is 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid is Cn1nnnc1Sc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is JNMYSBNHWCUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O2S/c1-14-8(11-12-13-14)17-6-5(9)4(7(15)16)2-3-10-6/h2-3H,1H3,(H,15,16).
What are the key properties of 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid?
3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 105382751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).