pyrrol-1-yl pyridine-3-carboxylate;hydrochloride

C10H9ClN2O2 — CID 174946460

IUPACpyrrol-1-yl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(On1cccc1)c1cccnc1
InChIInChI=1S/C10H8N2O2.ClH/c13-10(9-4-3-5-11-8-9)14-12-6-1-2-7-12;/h1-8H;1H
InChIKeyPJKMMTHXUJIMGF-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.57
Rot. Bonds2

About pyrrol-1-yl pyridine-3-carboxylate;hydrochloride

pyrrol-1-yl pyridine-3-carboxylate;hydrochloride (PubChem CID 174946460) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is pyrrol-1-yl pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namepyrrol-1-yl pyridine-3-carboxylate;hydrochloride
PubChem CID174946460
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namepyrrol-1-yl pyridine-3-carboxylate;hydrochloride
SMILESCl.O=C(On1cccc1)c1cccnc1
InChIInChI=1S/C10H8N2O2.ClH/c13-10(9-4-3-5-11-8-9)14-12-6-1-2-7-12;/h1-8H;1H
InChIKeyPJKMMTHXUJIMGF-UHFFFAOYSA-N
XLogP1.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;imidazol-1-yl pyridine-3-carboxylate
CID 175403064
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
(111C)methyl pyridine-3-carboxylate
CID 11309537
methylsulfanyl pyridine-3-carboxylate
CID 143338769
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
methyl benzoate;methyl pyridine-3-carboxylate;1-methylpyrrole
CID 161014753
pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193
ethyl pyridine-3-carboperoxoate
CID 143721352
CID 22254315
CID 22254315
hydrazinyl pyridine-3-carboxylate
CID 22603598
1-pyridin-3-ylethanone;hydrochloride
CID 69233376

Frequently Asked Questions

What is the IUPAC name of pyrrol-1-yl pyridine-3-carboxylate;hydrochloride?
The IUPAC name of pyrrol-1-yl pyridine-3-carboxylate;hydrochloride (CID 174946460) is pyrrol-1-yl pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for pyrrol-1-yl pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for pyrrol-1-yl pyridine-3-carboxylate;hydrochloride is Cl.O=C(On1cccc1)c1cccnc1.
What is the InChIKey of pyrrol-1-yl pyridine-3-carboxylate;hydrochloride?
The InChIKey is PJKMMTHXUJIMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.ClH/c13-10(9-4-3-5-11-8-9)14-12-6-1-2-7-12;/h1-8H;1H.
What are the key properties of pyrrol-1-yl pyridine-3-carboxylate;hydrochloride?
pyrrol-1-yl pyridine-3-carboxylate;hydrochloride has a molecular weight of 224.65 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-yl pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 174946460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).