2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine

C12H17ClN2O — CID 82836185

IUPAC2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCC(C)O1
InChIInChI=1S/C12H17ClN2O/c1-8-5-6-14-12(13)11(8)15-7-10-4-3-9(2)16-10/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyJXGVQOXNMFQTDI-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine

2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine (PubChem CID 82836185) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
PubChem CID82836185
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCC(C)O1
InChIInChI=1S/C12H17ClN2O/c1-8-5-6-14-12(13)11(8)15-7-10-4-3-9(2)16-10/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyJXGVQOXNMFQTDI-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine (CID 82836185) is 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine is Cc1ccnc(Cl)c1NCC1CCC(C)O1.
What is the InChIKey of 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
The InChIKey is JXGVQOXNMFQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-5-6-14-12(13)11(8)15-7-10-4-3-9(2)16-10/h5-6,9-10,15H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine?
2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine has a molecular weight of 240.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 82836185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).