tert-butyl N-(2-chloro-4-iodopyridin-3-yl)carbamate

tert-butyl N-(2-chloro-4-iodopyridin-3-yl)carbamate

CAS: 855784-39-3

Formula: C10H12ClIN2O2

SMILES: CC(C)(C)OC(=O)NC1=C(I)C=CN=C1Cl

IUPAC: tert-butyl N-(2-chloro-4-iodopyridin-3-yl)carbamate

InChI: InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-7-6(12)4-5-13-8(7)11/h4-5H,1-3H3,(H,14,15)

Composition: C (33.87%), H (3.41%), Cl (10.00%), I (35.79%), N (7.90%), O (9.02%)

Molar Mass: 354.57

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.9632
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QXFGNLGUJYXDFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.42
Topological Polar Surface Area	51.22
Polarizability	27.84
Ring Count	1
Rotatable Bond Count	3

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