2-methyl-5-nitropyridin-3-ylboronic acid

2-methyl-5-nitropyridin-3-ylboronic acid

Formula: C6H7BN2O4

SMILES: CC1=NC=C(C=C1B(O)O)[N+]([O-])=O

IUPAC: (2-methyl-5-nitropyridin-3-yl)boronic acid

InChI: InChI=1S/C6H7BN2O4/c1-4-6(7(10)11)2-5(3-8-4)9(12)13/h2-3,10-11H,1H3

Composition: C (39.61%), H (3.88%), B (5.94%), N (15.40%), O (35.17%)

Molar Mass: 181.94

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.049887
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BNVGYUFRPBLUJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.36
Topological Polar Surface Area	96.49
Polarizability	16.39
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C6H7BN2O4		Quote Only