4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid

C11H11F3N2O4 — CID 63650013

IUPAC4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
SMILESO=C(CCOCC(F)(F)F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-2-9(17)16-7-1-3-15-8(5-7)10(18)19/h1,3,5H,2,4,6H2,(H,18,19)(H,15,16,17)
InChIKeyCCYFGBLEWDAPAC-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.69
Rot. Bonds6

About 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid

4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid (PubChem CID 63650013) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
PubChem CID63650013
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid
SMILESO=C(CCOCC(F)(F)F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-2-9(17)16-7-1-3-15-8(5-7)10(18)19/h1,3,5H,2,4,6H2,(H,18,19)(H,15,16,17)
InChIKeyCCYFGBLEWDAPAC-UHFFFAOYSA-N
XLogP1.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
CID 63651324
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
6-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-3-carboxylic acid
CID 61317563
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
CID 65346637
4-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63651413
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084
N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid (CID 63650013) is 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid is O=C(CCOCC(F)(F)F)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid?
The InChIKey is CCYFGBLEWDAPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)6-20-4-2-9(17)16-7-1-3-15-8(5-7)10(18)19/h1,3,5H,2,4,6H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid?
4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid has a molecular weight of 292.21 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)propanoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).