pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate

C14H12ClNO3 — CID 60598324

IUPACpyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
SMILESCOc1cc(Cl)ccc1C(=O)OCc1ccccn1
InChIInChI=1S/C14H12ClNO3/c1-18-13-8-10(15)5-6-12(13)14(17)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyQXRPIEPMOZXCCM-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.10
Rot. Bonds4

About pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate

pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate (PubChem CID 60598324) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
PubChem CID60598324
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namepyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
SMILESCOc1cc(Cl)ccc1C(=O)OCc1ccccn1
InChIInChI=1S/C14H12ClNO3/c1-18-13-8-10(15)5-6-12(13)14(17)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3
InChIKeyQXRPIEPMOZXCCM-UHFFFAOYSA-N
XLogP3.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate?
The IUPAC name of pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate (CID 60598324) is pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate.
What is the SMILES notation for pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate?
The canonical SMILES for pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate is COc1cc(Cl)ccc1C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate?
The InChIKey is QXRPIEPMOZXCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-13-8-10(15)5-6-12(13)14(17)19-9-11-4-2-3-7-16-11/h2-8H,9H2,1H3.
What are the key properties of pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate?
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate has a molecular weight of 277.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate is sourced from PubChem (CID 60598324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).