methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate

C14H11ClFNO2 — CID 91011727

IUPACmethyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-14(18)12-3-2-4-17-13(12)7-9-5-10(15)8-11(16)6-9/h2-6,8H,7H2,1H3
InChIKeyYDPQSHWNOIHVJM-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.25
Rot. Bonds3

About methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate

methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate (PubChem CID 91011727) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate
PubChem CID91011727
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Namemethyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-14(18)12-3-2-4-17-13(12)7-9-5-10(15)8-11(16)6-9/h2-6,8H,7H2,1H3
InChIKeyYDPQSHWNOIHVJM-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate (CID 91011727) is methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate is COC(=O)c1cccnc1Cc1cc(F)cc(Cl)c1.
What is the InChIKey of methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate?
The InChIKey is YDPQSHWNOIHVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-14(18)12-3-2-4-17-13(12)7-9-5-10(15)8-11(16)6-9/h2-6,8H,7H2,1H3.
What are the key properties of methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate?
methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate has a molecular weight of 279.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-5-fluorophenyl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 91011727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).