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methyl 6-carbamimidoylpyridine-3-carboxylate hydrochloride

methyl 6-carbamimidoylpyridine-3-carboxylate hydrochloride

CAS: 1179361-48-8

Formula: C8H10ClN3O2

SMILES: Cl.COC(=O)C1=CC=C(N=C1)C(N)=N

IUPAC: methyl 6-carbamimidoylpyridine-3-carboxylate hydrochloride

InChI: InChI=1S/C8H9N3O2.ClH/c1-13-8(12)5-2-3-6(7(9)10)11-4-5;/h2-4H,1H3,(H3,9,10);1H

Composition: C (44.56%), H (4.67%), Cl (16.44%), N (19.49%), O (14.84%)

Molar Mass: 215.64

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.0461543
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BVBZDTOYEDJEPV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.23
Topological Polar Surface Area 89.06
Polarizability 17.59
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 1179361-48-8 $342.99-$660.76$342.99$660.76
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