[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate

C14H12Cl2N2O2 — CID 174807844

IUPAC[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate
SMILESCc1ccc(COC=O)nc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-9-2-4-11(7-20-8-19)17-14(9)18-13-5-3-10(15)6-12(13)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyFAMIFIDMSMMHOO-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.11
Rot. Bonds5

About [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate

[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate (PubChem CID 174807844) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate.

Molecular Properties

Compound Name[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate
PubChem CID174807844
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate
SMILESCc1ccc(COC=O)nc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-9-2-4-11(7-20-8-19)17-14(9)18-13-5-3-10(15)6-12(13)16/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyFAMIFIDMSMMHOO-UHFFFAOYSA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate?
The IUPAC name of [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate (CID 174807844) is [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate.
What is the SMILES notation for [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate?
The canonical SMILES for [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate is Cc1ccc(COC=O)nc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate?
The InChIKey is FAMIFIDMSMMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-9-2-4-11(7-20-8-19)17-14(9)18-13-5-3-10(15)6-12(13)16/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate?
[6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate has a molecular weight of 311.17 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dichloroanilino)-5-methyl-2-pyridinyl]methyl formate is sourced from PubChem (CID 174807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).