methyl 3-chloro-5-fluoropyridine-2-carboxylate

C7H5ClFNO2 — CID 46311235

IUPACmethyl 3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1Cl
InChIInChI=1S/C7H5ClFNO2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,1H3
InChIKeyCEGSHNULHUHZKT-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.66
Rot. Bonds1

About methyl 3-chloro-5-fluoropyridine-2-carboxylate

methyl 3-chloro-5-fluoropyridine-2-carboxylate (PubChem CID 46311235) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is methyl 3-chloro-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-fluoropyridine-2-carboxylate
PubChem CID46311235
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Namemethyl 3-chloro-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)cc1Cl
InChIInChI=1S/C7H5ClFNO2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,1H3
InChIKeyCEGSHNULHUHZKT-UHFFFAOYSA-N
XLogP1.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-chloro-5-fluoropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
methyl 2-chloro-5-(5-fluoropyrimidin-2-yl)benzoate
CID 167496125
diethyl 2-[(5-fluoro-2-methoxycarbonyl-3-pyridinyl)methyl]propanedioate
CID 175554752
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
4,5-dichloro-2-methoxycarbonylpyridine-3-carboxylic acid
CID 141464391
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 3,5-bis(2,4,6-trichlorophenyl)pyridine-2-carboxylate
CID 134636546
methyl N-(2-chloro-5-fluoro-3-pyridinyl)carbamate
CID 86694123
methyl 5-fluoro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133089142

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-fluoropyridine-2-carboxylate (CID 46311235) is methyl 3-chloro-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-fluoropyridine-2-carboxylate is COC(=O)c1ncc(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-fluoropyridine-2-carboxylate?
The InChIKey is CEGSHNULHUHZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,1H3.
What are the key properties of methyl 3-chloro-5-fluoropyridine-2-carboxylate?
methyl 3-chloro-5-fluoropyridine-2-carboxylate has a molecular weight of 189.57 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 46311235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).