3-(bromomethyl)-2-chloro-1,8-naphthyridine

3-(bromomethyl)-2-chloro-1,8-naphthyridine

CAS: 1126424-63-2

Formula: C9H6BrClN2

SMILES: ClC1=NC2=NC=CC=C2C=C1CBr

IUPAC: 3-(bromomethyl)-2-chloro-1,8-naphthyridine

InChI: InChI=1S/C9H6BrClN2/c10-5-7-4-6-2-1-3-12-9(6)13-8(7)11/h1-4H,5H2

Composition: C (41.98%), H (2.35%), Br (31.03%), Cl (13.77%), N (10.88%)

Molar Mass: 257.52

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.940289
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UZFRMQVCYQOAPI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.11
Topological Polar Surface Area	25.78
Polarizability	21.87
Ring Count	2
Rotatable Bond Count	1

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