tert-butyl 2-chloropyridine-3-carboxylate

tert-butyl 2-chloropyridine-3-carboxylate

CAS: 232951-83-6

Formula: C10H12ClNO2

SMILES: CC(C)(C)OC(=O)C1=CC=CN=C1Cl

IUPAC: tert-butyl 2-chloropyridine-3-carboxylate

InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.0556563
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BKRYJISKTILWAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.6
Topological Polar Surface Area	39.19
Polarizability	21.36
Ring Count	1
Rotatable Bond Count	3

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