5-chloro-6-ethoxypyridin-3-ylboronic acid

5-chloro-6-ethoxypyridin-3-ylboronic acid

CAS: 1150114-68-3

Formula: C7H9BClNO3

SMILES: CCOC1=NC=C(C=C1Cl)B(O)O

IUPAC: (5-chloro-6-ethoxypyridin-3-yl)boronic acid

InChI: InChI=1S/C7H9BClNO3/c1-2-13-7-6(9)3-5(4-10-7)8(11)12/h3-4,11-12H,2H2,1H3

Composition: C (41.74%), H (4.50%), B (5.37%), Cl (17.60%), N (6.95%), O (23.83%)

Molar Mass: 201.41

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.036401
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PRZRXDHALIHUBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.78
Topological Polar Surface Area	62.58
Polarizability	18.98
Ring Count	1
Rotatable Bond Count	3

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