(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate

C14H13ClN2O2 — CID 107340008

IUPAC(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-10(2-4-11)9-19-14(18)7-13-6-5-12(16)8-17-13/h1-6,8H,7,9,16H2
InChIKeyDOYJHLYZTMIFEC-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.60
Rot. Bonds4

About (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate

(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107340008) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate
PubChem CID107340008
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-10(2-4-11)9-19-14(18)7-13-6-5-12(16)8-17-13/h1-6,8H,7,9,16H2
InChIKeyDOYJHLYZTMIFEC-UHFFFAOYSA-N
XLogP2.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate (CID 107340008) is (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate is Nc1ccc(CC(=O)OCc2ccc(Cl)cc2)nc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is DOYJHLYZTMIFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-3-1-10(2-4-11)9-19-14(18)7-13-6-5-12(16)8-17-13/h1-6,8H,7,9,16H2.
What are the key properties of (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate?
(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 276.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107340008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).