5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid

C14H12F2N2O2 — CID 115490672

IUPAC5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H12F2N2O2/c15-10-5-9(6-11(16)7-10)3-4-17-12-1-2-13(14(19)20)18-8-12/h1-2,5-8,17H,3-4H2,(H,19,20)
InChIKeyMFEKDVAWXFPDMC-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.71
Rot. Bonds5

About 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid

5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 115490672) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
PubChem CID115490672
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C14H12F2N2O2/c15-10-5-9(6-11(16)7-10)3-4-17-12-1-2-13(14(19)20)18-8-12/h1-2,5-8,17H,3-4H2,(H,19,20)
InChIKeyMFEKDVAWXFPDMC-UHFFFAOYSA-N
XLogP2.71
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-(3,5-difluorophenyl)pyridine-2-carboxylic acid
CID 52983927
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid (CID 115490672) is 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is MFEKDVAWXFPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-10-5-9(6-11(16)7-10)3-4-17-12-1-2-13(14(19)20)18-8-12/h1-2,5-8,17H,3-4H2,(H,19,20).
What are the key properties of 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid?
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).