2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid

C15H14ClFN2O2 — CID 105382292

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccc(C(=O)O)c1F
InChIInChI=1S/C15H14ClFN2O2/c1-9(10-3-5-11(16)6-4-10)19(2)14-13(17)12(15(20)21)7-8-18-14/h3-9H,1-2H3,(H,20,21)
InChIKeyOMHWWNZZMDIEPV-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.77
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid

2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382292) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
PubChem CID105382292
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
SMILESCC(c1ccc(Cl)cc1)N(C)c1nccc(C(=O)O)c1F
InChIInChI=1S/C15H14ClFN2O2/c1-9(10-3-5-11(16)6-4-10)19(2)14-13(17)12(15(20)21)7-8-18-14/h3-9H,1-2H3,(H,20,21)
InChIKeyOMHWWNZZMDIEPV-UHFFFAOYSA-N
XLogP3.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382293
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 130297463
5-amino-6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 81446929
3-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984
2-[(2-chlorophenyl)methyl-methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382004
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381871

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid (CID 105382292) is 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid is CC(c1ccc(Cl)cc1)N(C)c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
The InChIKey is OMHWWNZZMDIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9(10-3-5-11(16)6-4-10)19(2)14-13(17)12(15(20)21)7-8-18-14/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid?
2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid has a molecular weight of 308.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).