2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid

C15H15FN2O2 — CID 82754906

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
SMILESCCc1cccnc1CNc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-2-10-5-4-8-17-13(10)9-18-12-7-3-6-11(16)14(12)15(19)20/h3-8,18H,2,9H2,1H3,(H,19,20)
InChIKeyOWHKYWDMLJEUTL-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.09
Rot. Bonds5

About 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid

2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid (PubChem CID 82754906) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
PubChem CID82754906
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid
SMILESCCc1cccnc1CNc1cccc(F)c1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-2-10-5-4-8-17-13(10)9-18-12-7-3-6-11(16)14(12)15(19)20/h3-8,18H,2,9H2,1H3,(H,19,20)
InChIKeyOWHKYWDMLJEUTL-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-6-fluorobenzamide
CID 114559709
2-[(3-fluoro-2-iodoanilino)methyl]pyridine-3-carboxylic acid
CID 114260572
2-fluoro-6-(pyridin-4-ylmethylamino)benzoic acid
CID 58989809
2-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-4-fluorobenzamide
CID 82729877
2-fluoro-6-(propylamino)benzoic acid
CID 79522268
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
CID 82735434
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid (CID 82754906) is 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid is CCc1cccnc1CNc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid?
The InChIKey is OWHKYWDMLJEUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-10-5-4-8-17-13(10)9-18-12-7-3-6-11(16)14(12)15(19)20/h3-8,18H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid?
2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid has a molecular weight of 274.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-fluorobenzoic acid is sourced from PubChem (CID 82754906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).