(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C14H12ClFN2O3 — CID 62814289

IUPAC(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O3/c15-12-5-10(16)2-1-9(12)8-21-14(20)7-18-6-11(17)3-4-13(18)19/h1-6H,7-8,17H2
InChIKeyKTUXNSLDXALEOZ-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.97
Rot. Bonds4

About (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814289) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814289
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCc2ccc(F)cc2Cl)c1
InChIInChI=1S/C14H12ClFN2O3/c15-12-5-10(16)2-1-9(12)8-21-14(20)7-18-6-11(17)3-4-13(18)19/h1-6H,7-8,17H2
InChIKeyKTUXNSLDXALEOZ-UHFFFAOYSA-N
XLogP1.97
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 61321843
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
(2-chloro-4-fluorophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 42967396
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-difluorophenyl)acetamide
CID 62815111
(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 115982405
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814988
(2-chloro-4-fluorophenyl)methyl 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2102551
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
(2-chloro-5-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 102619606
(2-chloro-4-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62816495

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814289) is (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCc2ccc(F)cc2Cl)c1.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is KTUXNSLDXALEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c15-12-5-10(16)2-1-9(12)8-21-14(20)7-18-6-11(17)3-4-13(18)19/h1-6H,7-8,17H2.
What are the key properties of (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 310.71 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).