methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate

C10H12ClNO3 — CID 14444193

IUPACmethyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)C(Cl)Cc1ccc(OC)nc1
InChIInChI=1S/C10H12ClNO3/c1-14-9-4-3-7(6-12-9)5-8(11)10(13)15-2/h3-4,6,8H,5H2,1-2H3
InChIKeyYBIYSUJQXQRKRI-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate

methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate (PubChem CID 14444193) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
PubChem CID14444193
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
SMILESCOC(=O)C(Cl)Cc1ccc(OC)nc1
InChIInChI=1S/C10H12ClNO3/c1-14-9-4-3-7(6-12-9)5-8(11)10(13)15-2/h3-4,6,8H,5H2,1-2H3
InChIKeyYBIYSUJQXQRKRI-UHFFFAOYSA-N
XLogP1.41
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-3-(4-ethylphenyl)propanoate
CID 79021615
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
methyl 3-(4-bromophenyl)-2-chloropropanoate
CID 79021438
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
methyl 2-chloro-3-(4-propylphenyl)propanoate
CID 83194984
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
[1-(6-methoxy-3-pyridinyl)-3-methylbut-3-en-2-yl]hydrazine
CID 105250613
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
[1-(6-methoxy-3-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105250534
3-(6-methoxy-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104985047

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate?
The IUPAC name of methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate (CID 14444193) is methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate.
What is the SMILES notation for methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate?
The canonical SMILES for methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate is COC(=O)C(Cl)Cc1ccc(OC)nc1.
What is the InChIKey of methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate?
The InChIKey is YBIYSUJQXQRKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-9-4-3-7(6-12-9)5-8(11)10(13)15-2/h3-4,6,8H,5H2,1-2H3.
What are the key properties of methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate?
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate has a molecular weight of 229.66 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 14444193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).