3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid

C14H13FN2O2 — CID 150717053

IUPAC3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
SMILESC[C@@H](Nc1cnccc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-13-8-16-7-6-12(13)14(18)19/h2-9,17H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyJPCDKBNTOZEZFM-SECBINFHSA-N
MW260.27 g/mol
LogP3.09
Rot. Bonds4

About 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid

3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid (PubChem CID 150717053) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
PubChem CID150717053
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid
SMILESC[C@@H](Nc1cnccc1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-13-8-16-7-6-12(13)14(18)19/h2-9,17H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyJPCDKBNTOZEZFM-SECBINFHSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106345806
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
2-[1-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyridine-3-carboxylic acid
CID 67007882
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181525
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
2-[1-(4-fluorophenyl)ethylamino]-3-methyl-6-(pyrazin-2-ylamino)pyridine-4-carboxylic acid
CID 67007995
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
3-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 114136276
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid (CID 150717053) is 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid is C[C@@H](Nc1cnccc1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid?
The InChIKey is JPCDKBNTOZEZFM-SECBINFHSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9(10-2-4-11(15)5-3-10)17-13-8-16-7-6-12(13)14(18)19/h2-9,17H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid?
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 150717053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).