3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid

C12H12F3N5O2 — CID 154027340

IUPAC3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESCc1nnn(Cc2cc(C(F)(F)F)cnc2CCC(=O)O)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-17-19-20(18-7)6-8-4-9(12(13,14)15)5-16-10(8)2-3-11(21)22/h4-5H,2-3,6H2,1H3,(H,21,22)
InChIKeyRVGDPMLTBMXTFM-UHFFFAOYSA-N
MW315.26 g/mol
LogP1.46
Rot. Bonds5

About 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid

3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 154027340) has the molecular formula C12H12F3N5O2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID154027340
Molecular FormulaC12H12F3N5O2
Molecular Weight315.26 g/mol
Exact Mass315.09
IUPAC Name3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESCc1nnn(Cc2cc(C(F)(F)F)cnc2CCC(=O)O)n1
InChIInChI=1S/C12H12F3N5O2/c1-7-17-19-20(18-7)6-8-4-9(12(13,14)15)5-16-10(8)2-3-11(21)22/h4-5H,2-3,6H2,1H3,(H,21,22)
InChIKeyRVGDPMLTBMXTFM-UHFFFAOYSA-N
XLogP1.46
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 154027340) is 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is Cc1nnn(Cc2cc(C(F)(F)F)cnc2CCC(=O)O)n1.
What is the InChIKey of 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is RVGDPMLTBMXTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O2/c1-7-17-19-20(18-7)6-8-4-9(12(13,14)15)5-16-10(8)2-3-11(21)22/h4-5H,2-3,6H2,1H3,(H,21,22).
What are the key properties of 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 315.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methyltetrazol-2-yl)methyl]-5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 154027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).