formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid

C16H14F3N3O6 — CID 175905624

IUPACformic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O.O=CO
InChIInChI=1S/C15H12F3N3O4.CH2O2/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23;2-1-3/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyQGHUWPLDIQZLSJ-UHFFFAOYSA-N
MW401.30 g/mol
LogP1.69
Rot. Bonds4

About formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid

formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 175905624) has the molecular formula C16H14F3N3O6 and a molecular weight of 401.30 g/mol. Its IUPAC name is formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID175905624
Molecular FormulaC16H14F3N3O6
Molecular Weight401.30 g/mol
Exact Mass401.08
IUPAC Nameformic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O.O=CO
InChIInChI=1S/C15H12F3N3O4.CH2O2/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23;2-1-3/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyQGHUWPLDIQZLSJ-UHFFFAOYSA-N
XLogP1.69
TPSA149.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid (CID 175905624) is formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2ccc(C(F)(F)F)nc2)cnc(C(=O)NCC(=O)O)c1O.O=CO.
What is the InChIKey of formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is QGHUWPLDIQZLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4.CH2O2/c1-7-9(8-2-3-10(19-4-8)15(16,17)18)5-20-12(13(7)24)14(25)21-6-11(22)23;2-1-3/h2-5,24H,6H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3).
What are the key properties of formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid?
formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 401.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 175905624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).