Text Search
Structure Search

ethyl 2-(3-chloropyridin-2-yl)-5-(hydroxymethyl)pyrazole-3-carboxylate

ethyl 2-(3-chloropyridin-2-yl)-5-(hydroxymethyl)pyrazole-3-carboxylate

CAS: 1312305-42-2

Formula: C12H12ClN3O3

SMILES: CCOC(=O)C1=CC(CO)=NN1C1=NC=CC=C1Cl

IUPAC: ethyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate

InChI: InChI=1S/C12H12ClN3O3/c1-2-19-12(18)10-6-8(7-17)15-16(10)11-9(13)4-3-5-14-11/h3-6,17H,2,7H2,1H3

Composition: C (51.17%), H (4.29%), Cl (12.58%), N (14.92%), O (17.04%)

Molar Mass: 281.7

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 281.056719
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey SRSJLFZZULJYEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.33
Topological Polar Surface Area 77.24
Polarizability 26.57
Ring Count 2
Rotatable Bond Count 5

Suppliers

No suppliers are currently stocking this item.