ethyl 4-(pyridin-2-yl)-1H-pyrrole-3-carboxylate

ethyl 4-(pyridin-2-yl)-1H-pyrrole-3-carboxylate

CAS: 342025-71-2

Formula: C12H12N2O2

SMILES: CCOC(=O)C1=CNC=C1C1=NC=CC=C1

IUPAC: ethyl 4-(pyridin-2-yl)-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-7-9(10)11-5-3-4-6-14-11/h3-8,13H,2H2,1H3

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.089877634
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GLQKXBIHJPARNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.2
Topological Polar Surface Area	54.98
Polarizability	24.36
Ring Count	2
Rotatable Bond Count	4

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95%	<5 Days	342025-71-2		$1,600.00-$3,190.00$1,600.00$1,760.00$3,190.00