phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate

C14H15NO2 — CID 15330000

IUPACphenyl 2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCC1=CC(C)C=CN1C(=O)Oc1ccccc1
InChIInChI=1S/C14H15NO2/c1-11-8-9-15(12(2)10-11)14(16)17-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyNXEHKDPCZMQZBD-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.55
Rot. Bonds1

About phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate

phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate (PubChem CID 15330000) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2,4-dimethyl-4H-pyridine-1-carboxylate
PubChem CID15330000
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namephenyl 2,4-dimethyl-4H-pyridine-1-carboxylate
SMILESCC1=CC(C)C=CN1C(=O)Oc1ccccc1
InChIInChI=1S/C14H15NO2/c1-11-8-9-15(12(2)10-11)14(16)17-13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyNXEHKDPCZMQZBD-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 4-phenyl-4H-pyridine-1-carboxylate
CID 10540490
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CID 11811797
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phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 102247017
phenyl 4-butan-2-yl-4H-pyridine-1-carboxylate
CID 11470875
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
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CID 162013592
phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate
CID 71377101
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Frequently Asked Questions

What is the IUPAC name of phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate?
The IUPAC name of phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate (CID 15330000) is phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate?
The canonical SMILES for phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate is CC1=CC(C)C=CN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate?
The InChIKey is NXEHKDPCZMQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-8-9-15(12(2)10-11)14(16)17-13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate?
phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 15330000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).