methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate

C8H6ClF2NO2 — CID 130095660

IUPACmethyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-8(13)4-2-3-5(9)12-6(4)7(10)11/h2-3,7H,1H3
InChIKeyJZZSWZWOTSRAHI-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.46
Rot. Bonds2

About methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate

methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130095660) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130095660
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Namemethyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-8(13)4-2-3-5(9)12-6(4)7(10)11/h2-3,7H,1H3
InChIKeyJZZSWZWOTSRAHI-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
CID 119054405
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
methyl 6-chloro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylate
CID 134637790
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate (CID 130095660) is methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(Cl)nc1C(F)F.
What is the InChIKey of methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is JZZSWZWOTSRAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-14-8(13)4-2-3-5(9)12-6(4)7(10)11/h2-3,7H,1H3.
What are the key properties of methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate?
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 221.59 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130095660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).