pyridin-3-yl furan-2-carboxylate;hydrochloride

C10H8ClNO3 — CID 6602726

IUPACpyridin-3-yl furan-2-carboxylate;hydrochloride
SMILESCl.O=C(Oc1cccnc1)c1ccco1
InChIInChI=1S/C10H7NO3.ClH/c12-10(9-4-2-6-13-9)14-8-3-1-5-11-7-8;/h1-7H;1H
InChIKeyLOZPDDOQLJRAQS-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.32
Rot. Bonds2

About pyridin-3-yl furan-2-carboxylate;hydrochloride

pyridin-3-yl furan-2-carboxylate;hydrochloride (PubChem CID 6602726) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is pyridin-3-yl furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyridin-3-yl furan-2-carboxylate;hydrochloride
PubChem CID6602726
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Namepyridin-3-yl furan-2-carboxylate;hydrochloride
SMILESCl.O=C(Oc1cccnc1)c1ccco1
InChIInChI=1S/C10H7NO3.ClH/c12-10(9-4-2-6-13-9)14-8-3-1-5-11-7-8;/h1-7H;1H
InChIKeyLOZPDDOQLJRAQS-UHFFFAOYSA-N
XLogP2.32
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl furan-2-carboxylate;hydrochloride?
The IUPAC name of pyridin-3-yl furan-2-carboxylate;hydrochloride (CID 6602726) is pyridin-3-yl furan-2-carboxylate;hydrochloride.
What is the SMILES notation for pyridin-3-yl furan-2-carboxylate;hydrochloride?
The canonical SMILES for pyridin-3-yl furan-2-carboxylate;hydrochloride is Cl.O=C(Oc1cccnc1)c1ccco1.
What is the InChIKey of pyridin-3-yl furan-2-carboxylate;hydrochloride?
The InChIKey is LOZPDDOQLJRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.ClH/c12-10(9-4-2-6-13-9)14-8-3-1-5-11-7-8;/h1-7H;1H.
What are the key properties of pyridin-3-yl furan-2-carboxylate;hydrochloride?
pyridin-3-yl furan-2-carboxylate;hydrochloride has a molecular weight of 225.63 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 6602726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).