(5-Chloropyridin-3-yl)methyl (pyridin-3-yl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
37831-77-9- Standard SMILES
Cl.O=C(Cc1cccnc1)OCc1cncc(Cl)c1- InChIKey
NYDVREMXYFDKMB-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 298.027583
Names & identifiers
- Preferred name
- (5-Chloropyridin-3-yl)methyl (pyridin-3-yl)acetate--hydrogen chloride (1/1)
- IUPAC
- (5-chloro-3-pyridinyl)methyl 2-pyridin-3-ylacetate;hydrochloride
- English name
- 3-Pyridineacetic acid, (5-chloro-3-pyridinyl)methyl ester, monohydroch loride
- Molecular weight
- 0
Names & synonyms
37831-77-9DTXSID90958864(5-Chloropyridin-3-yl)methyl (pyridin-3-yl)acetate--hydrogen chloride (1/1)RefChem:1050570DTXCID901386757(5-Chloro-3-pyridinyl)methyl 3-pyridineacetate monohydrochloride3-Pyridineacetic acid, (5-chloro-3-pyridinyl)methyl ester, monohydrochloride(5-chloropyridin-3-yl)methyl 2-pyridin-3-ylacetate hydrochlorideDB-2351763-Pyridineacetic acid, (5-chloro-3-pyridinyl)methyl ester, monohydroch loride
Database identifiers
- CAS
37831-77-9- PubChem CID
- 216874
- DTXSID
DTXSID90958864
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
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Related reactions
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Compound notes
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