methyl 4-formylpyridine-2-carboxylate

methyl 4-formylpyridine-2-carboxylate

CAS: 64463-46-3

Formula: C8H7NO3

SMILES: COC(=O)C1=CC(C=O)=CC=N1

IUPAC: methyl 4-formylpyridine-2-carboxylate

InChI: InChI=1S/C8H7NO3/c1-12-8(11)7-4-6(5-10)2-3-9-7/h2-5H,1H3

Composition: C (58.18%), H (4.27%), N (8.48%), O (29.06%)

Molar Mass: 165.148

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.042593089
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CIJCYKYLTLEDGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.14
Topological Polar Surface Area	56.26
Polarizability	15.81
Ring Count	1
Rotatable Bond Count	3

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