6-methoxy-1,5-naphthyridin-4-ylboronic acid

6-methoxy-1,5-naphthyridin-4-ylboronic acid

CAS: 1257640-81-5

Formula: C9H9BN2O3

SMILES: COC1=NC2=C(C=CN=C2C=C1)B(O)O

IUPAC: (6-methoxy-1,5-naphthyridin-4-yl)boronic acid

InChI: InChI=1S/C9H9BN2O3/c1-15-8-3-2-7-9(12-8)6(10(13)14)4-5-11-7/h2-5,13-14H,1H3

Composition: C (52.99%), H (4.45%), B (5.30%), N (13.73%), O (23.53%)

Molar Mass: 203.99

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	204.070622
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JQLATOUDNCHYBB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.77
Topological Polar Surface Area	75.47
Polarizability	21.78
Ring Count	2
Rotatable Bond Count	2

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