6-chloro-2,4-dimethylpyridine-3-carboxylic acid

6-chloro-2,4-dimethylpyridine-3-carboxylic acid

CAS: 630082-81-4

Formula: C8H8ClNO2

SMILES: CC1=CC(Cl)=NC(C)=C1C(O)=O

IUPAC: 6-chloro-2,4-dimethylpyridine-3-carboxylic acid

InChI: InChI=1S/C8H8ClNO2/c1-4-3-6(9)10-5(2)7(4)8(11)12/h3H,1-2H3,(H,11,12)

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.0243562
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RBEYJNUECZLISX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.66
Topological Polar Surface Area	50.19
Polarizability	17.3
Ring Count	1
Rotatable Bond Count	1

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