ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate

C10H10F3NO3 — CID 133105613

IUPACethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(OC)nc1F
InChIInChI=1S/C10H10F3NO3/c1-3-17-10(15)6-4-5(7(11)12)9(16-2)14-8(6)13/h4,7H,3H2,1-2H3
InChIKeyVWIWRZJFQGYTBQ-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.34
Rot. Bonds4

About ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate

ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate (PubChem CID 133105613) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
PubChem CID133105613
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(OC)nc1F
InChIInChI=1S/C10H10F3NO3/c1-3-17-10(15)6-4-5(7(11)12)9(16-2)14-8(6)13/h4,7H,3H2,1-2H3
InChIKeyVWIWRZJFQGYTBQ-UHFFFAOYSA-N
XLogP2.34
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
5-(difluoromethyl)-2-fluoro-6-methoxypyridin-3-amine
CID 130103897

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate (CID 133105613) is ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate is CCOC(=O)c1cc(C(F)F)c(OC)nc1F.
What is the InChIKey of ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate?
The InChIKey is VWIWRZJFQGYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-3-17-10(15)6-4-5(7(11)12)9(16-2)14-8(6)13/h4,7H,3H2,1-2H3.
What are the key properties of ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate?
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate has a molecular weight of 249.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 133105613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).