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2-(azepan-1-yl)pyridine-4-carboxylic acid

2-(azepan-1-yl)pyridine-4-carboxylic acid

CAS: 885277-05-4

Formula: C12H16N2O2

SMILES: OC(=O)C1=CC=NC(=C1)N1CCCCCC1

IUPAC: 2-(azepan-1-yl)pyridine-4-carboxylic acid

InChI: InChI=1S/C12H16N2O2/c15-12(16)10-5-6-13-11(9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,16)

Composition: C (65.43%), H (7.32%), N (12.72%), O (14.53%)

Molar Mass: 220.272

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.121177763
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UYWSWXXMUJAYFS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.64
Topological Polar Surface Area 53.43
Polarizability 23.23
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 885277-05-4 $93.31-$300.12$93.31$138.71$300.12
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