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

C14H10ClF2NO3 — CID 2480734

IUPAC[5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1OC(F)F)c1cccnc1
InChIInChI=1S/C14H10ClF2NO3/c15-11-3-4-12(21-14(16)17)10(6-11)8-20-13(19)9-2-1-5-18-7-9/h1-7,14H,8H2
InChIKeyZJQIEZUPYBTCBI-UHFFFAOYSA-N
MW313.69 g/mol
LogP3.69
Rot. Bonds5

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

[5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate (PubChem CID 2480734) has the molecular formula C14H10ClF2NO3 and a molecular weight of 313.69 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate
PubChem CID2480734
Molecular FormulaC14H10ClF2NO3
Molecular Weight313.69 g/mol
Exact Mass313.03
IUPAC Name[5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate
SMILESO=C(OCc1cc(Cl)ccc1OC(F)F)c1cccnc1
InChIInChI=1S/C14H10ClF2NO3/c15-11-3-4-12(21-14(16)17)10(6-11)8-20-13(19)9-2-1-5-18-7-9/h1-7,14H,8H2
InChIKeyZJQIEZUPYBTCBI-UHFFFAOYSA-N
XLogP3.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate?
The IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate (CID 2480734) is [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate?
The canonical SMILES for [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate is O=C(OCc1cc(Cl)ccc1OC(F)F)c1cccnc1.
What is the InChIKey of [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate?
The InChIKey is ZJQIEZUPYBTCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO3/c15-11-3-4-12(21-14(16)17)10(6-11)8-20-13(19)9-2-1-5-18-7-9/h1-7,14H,8H2.
What are the key properties of [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate?
[5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate has a molecular weight of 313.69 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(difluoromethoxy)phenyl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 2480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).