pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate

C13H10ClNO3 — CID 43054090

IUPACpyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
SMILESO=C(OCc1ccccn1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO3/c14-9-4-5-11(12(16)7-9)13(17)18-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyFAQCWXZDGPLCBP-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.80
Rot. Bonds3

About pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate

pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate (PubChem CID 43054090) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
PubChem CID43054090
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namepyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate
SMILESO=C(OCc1ccccn1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClNO3/c14-9-4-5-11(12(16)7-9)13(17)18-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyFAQCWXZDGPLCBP-UHFFFAOYSA-N
XLogP2.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
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pyridin-2-ylmethyl 2-methyl-6-phenylpyridine-3-carboxylate
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(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
bis(pyridin-2-ylmethyl) fluoranthene-3,9-dicarboxylate
CID 20598581
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
[(E)-but-2-enyl] 4-chloro-2-hydroxybenzoate
CID 55562885
(5-bromo-2-pyridinyl)methyl 2-amino-4-chlorobenzoate
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5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate?
The IUPAC name of pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate (CID 43054090) is pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate?
The canonical SMILES for pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate is O=C(OCc1ccccn1)c1ccc(Cl)cc1O.
What is the InChIKey of pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate?
The InChIKey is FAQCWXZDGPLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-4-5-11(12(16)7-9)13(17)18-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate?
pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate has a molecular weight of 263.68 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 43054090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).