2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid

C14H12F2N2O2 — CID 43737120

IUPAC2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid
SMILESCC(Nc1cc(C(=O)O)c(F)cc1F)c1ccccn1
InChIInChI=1S/C14H12F2N2O2/c1-8(12-4-2-3-5-17-12)18-13-6-9(14(19)20)10(15)7-11(13)16/h2-8,18H,1H3,(H,19,20)
InChIKeyFLQANIPTARFWOG-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.23
Rot. Bonds4

About 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid

2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid (PubChem CID 43737120) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid
PubChem CID43737120
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid
SMILESCC(Nc1cc(C(=O)O)c(F)cc1F)c1ccccn1
InChIInChI=1S/C14H12F2N2O2/c1-8(12-4-2-3-5-17-12)18-13-6-9(14(19)20)10(15)7-11(13)16/h2-8,18H,1H3,(H,19,20)
InChIKeyFLQANIPTARFWOG-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,5-difluoro-N-(1-pyridin-2-ylethyl)aniline
CID 107609858
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
2,4-difluoro-5-[[3-nitro-4-(1-pyridin-2-ylethylamino)benzoyl]amino]benzamide
CID 56570331
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63993254
5-[1-(5-ethylthiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid
CID 61335529
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
2,4-difluoro-5-[1-(1-methylcyclopropyl)ethylamino]benzoic acid
CID 43737134

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid?
The IUPAC name of 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid (CID 43737120) is 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid?
The canonical SMILES for 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid is CC(Nc1cc(C(=O)O)c(F)cc1F)c1ccccn1.
What is the InChIKey of 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid?
The InChIKey is FLQANIPTARFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8(12-4-2-3-5-17-12)18-13-6-9(14(19)20)10(15)7-11(13)16/h2-8,18H,1H3,(H,19,20).
What are the key properties of 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid?
2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid has a molecular weight of 278.26 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid is sourced from PubChem (CID 43737120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).