3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid

C14H13FN2O2 — CID 105381797

IUPAC3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccccc2)c1F
InChIInChI=1S/C14H13FN2O2/c15-12-11(14(18)19)7-9-17-13(12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H,18,19)
InChIKeyRMDJKHZQXRLVTA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.57
Rot. Bonds5

About 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid

3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid (PubChem CID 105381797) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
PubChem CID105381797
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccccc2)c1F
InChIInChI=1S/C14H13FN2O2/c15-12-11(14(18)19)7-9-17-13(12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H,18,19)
InChIKeyRMDJKHZQXRLVTA-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(4-phenylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382162
2-[2-(carbamoylamino)ethylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382591
3-chloro-2-[2-(4-fluorophenyl)ethylamino]pyridine-4-carboxylic acid
CID 107061773
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382240
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
3-fluoro-2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]pyridine-4-carboxylic acid
CID 105382627
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-fluoro-2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382410
3-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxylic acid
CID 62709932
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid (CID 105381797) is 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCc2ccccc2)c1F.
What is the InChIKey of 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid?
The InChIKey is RMDJKHZQXRLVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-11(14(18)19)7-9-17-13(12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid?
3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-phenylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 105381797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).