(3-methyl-5-pyridin-4-ylphenyl) formate

C13H11NO2 — CID 118375249

IUPAC(3-methyl-5-pyridin-4-ylphenyl) formate
SMILESCc1cc(OC=O)cc(-c2ccncc2)c1
InChIInChI=1S/C13H11NO2/c1-10-6-12(8-13(7-10)16-9-15)11-2-4-14-5-3-11/h2-9H,1H3
InChIKeyLDSKLEGMPRSIAY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.59
Rot. Bonds3

About (3-methyl-5-pyridin-4-ylphenyl) formate

(3-methyl-5-pyridin-4-ylphenyl) formate (PubChem CID 118375249) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (3-methyl-5-pyridin-4-ylphenyl) formate.

Molecular Properties

Compound Name(3-methyl-5-pyridin-4-ylphenyl) formate
PubChem CID118375249
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(3-methyl-5-pyridin-4-ylphenyl) formate
SMILESCc1cc(OC=O)cc(-c2ccncc2)c1
InChIInChI=1S/C13H11NO2/c1-10-6-12(8-13(7-10)16-9-15)11-2-4-14-5-3-11/h2-9H,1H3
InChIKeyLDSKLEGMPRSIAY-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclopropyloxy-5-methylphenyl)pyridine;ethane
CID 178154733
3-(3,5-diformyloxyphenyl)-5-methylbenzoic acid;3-formyloxy-5-methylbenzoic acid
CID 159615570
4-[4-[6-(3,5-dimethylphenyl)naphthalen-2-yl]phenyl]pyridine
CID 170289207
[3,5-bis(4-fluorophenyl)phenyl] formate
CID 122549194
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
[3-(hydroxymethyl)-5-methylphenyl] formate
CID 89472266
[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate
CID 158997187
2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
CID 144553900
methyl 3-formyloxy-5-methylbenzoate
CID 170179005
(4-pyrimidin-4-ylphenyl) formate
CID 139536850
ethane;4-pyridin-4-ylpyridine
CID 142013036
(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine
CID 144902551

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-pyridin-4-ylphenyl) formate?
The IUPAC name of (3-methyl-5-pyridin-4-ylphenyl) formate (CID 118375249) is (3-methyl-5-pyridin-4-ylphenyl) formate.
What is the SMILES notation for (3-methyl-5-pyridin-4-ylphenyl) formate?
The canonical SMILES for (3-methyl-5-pyridin-4-ylphenyl) formate is Cc1cc(OC=O)cc(-c2ccncc2)c1.
What is the InChIKey of (3-methyl-5-pyridin-4-ylphenyl) formate?
The InChIKey is LDSKLEGMPRSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10-6-12(8-13(7-10)16-9-15)11-2-4-14-5-3-11/h2-9H,1H3.
What are the key properties of (3-methyl-5-pyridin-4-ylphenyl) formate?
(3-methyl-5-pyridin-4-ylphenyl) formate has a molecular weight of 213.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-pyridin-4-ylphenyl) formate is sourced from PubChem (CID 118375249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).