methyl formate;3-methylpyridin-4-amine

C8H12N2O2 — CID 160726119

IUPACmethyl formate;3-methylpyridin-4-amine
SMILESCOC=O.Cc1cnccc1N
InChIInChI=1S/C6H8N2.C2H4O2/c1-5-4-8-3-2-6(5)7;1-4-2-3/h2-4H,1H3,(H2,7,8);2H,1H3
InChIKeyRTSRLNWKDZTBDU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.76
Rot. Bonds1

About methyl formate;3-methylpyridin-4-amine

methyl formate;3-methylpyridin-4-amine (PubChem CID 160726119) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl formate;3-methylpyridin-4-amine.

Molecular Properties

Compound Namemethyl formate;3-methylpyridin-4-amine
PubChem CID160726119
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl formate;3-methylpyridin-4-amine
SMILESCOC=O.Cc1cnccc1N
InChIInChI=1S/C6H8N2.C2H4O2/c1-5-4-8-3-2-6(5)7;1-4-2-3/h2-4H,1H3,(H2,7,8);2H,1H3
InChIKeyRTSRLNWKDZTBDU-UHFFFAOYSA-N
XLogP0.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.76
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 methyl formate;3-methylpyridin-4-amine?
The IUPAC name of methyl formate;3-methylpyridin-4-amine (CID 160726119) is methyl formate;3-methylpyridin-4-amine.
What is the SMILES notation for methyl formate;3-methylpyridin-4-amine?
The canonical SMILES for methyl formate;3-methylpyridin-4-amine is COC=O.Cc1cnccc1N.
What is the InChIKey of methyl formate;3-methylpyridin-4-amine?
The InChIKey is RTSRLNWKDZTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H4O2/c1-5-4-8-3-2-6(5)7;1-4-2-3/h2-4H,1H3,(H2,7,8);2H,1H3.
What are the key properties of methyl formate;3-methylpyridin-4-amine?
methyl formate;3-methylpyridin-4-amine has a molecular weight of 168.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;3-methylpyridin-4-amine is sourced from PubChem (CID 160726119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).