[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid

C19H20F4N3O3- — CID 159319689

IUPAC[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCC(F)(F)F.[NH-]c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C11H8FN2O.C8H12F3NO2/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15;9-8(10,11)3-5-12-4-1-2-6(12)7(13)14/h1-7,13H;6H,1-5H2,(H,13,14)/q-1;
InChIKeyLDPGMTQSUYWFLG-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.15
Rot. Bonds4

About [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid

[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid (PubChem CID 159319689) has the molecular formula C19H20F4N3O3- and a molecular weight of 414.38 g/mol. Its IUPAC name is [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
PubChem CID159319689
Molecular FormulaC19H20F4N3O3-
Molecular Weight414.38 g/mol
Exact Mass414.14
IUPAC Name[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CCC(F)(F)F.[NH-]c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C11H8FN2O.C8H12F3NO2/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15;9-8(10,11)3-5-12-4-1-2-6(12)7(13)14/h1-7,13H;6H,1-5H2,(H,13,14)/q-1;
InChIKeyLDPGMTQSUYWFLG-UHFFFAOYSA-N
XLogP4.15
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 140510044
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
(2S)-1-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038828
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 91005801
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 79355389
1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 114850863
1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid (CID 159319689) is [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CCC(F)(F)F.[NH-]c1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LDPGMTQSUYWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN2O.C8H12F3NO2/c12-9-7-8(4-5-10(9)13)14-6-2-1-3-11(14)15;9-8(10,11)3-5-12-4-1-2-6(12)7(13)14/h1-7,13H;6H,1-5H2,(H,13,14)/q-1;.
What are the key properties of [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid?
[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 414.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]azanide;1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159319689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).