1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine

C8H10ClFN2O — CID 126721634

IUPAC1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(Cl)nc1OC
InChIInChI=1S/C8H10ClFN2O/c1-11-4-5-3-6(10)7(9)12-8(5)13-2/h3,11H,4H2,1-2H3
InChIKeyQXRPKPOQCGENNR-UHFFFAOYSA-N
MW204.63 g/mol
LogP1.60
Rot. Bonds3

About 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine

1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 126721634) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID126721634
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(Cl)nc1OC
InChIInChI=1S/C8H10ClFN2O/c1-11-4-5-3-6(10)7(9)12-8(5)13-2/h3,11H,4H2,1-2H3
InChIKeyQXRPKPOQCGENNR-UHFFFAOYSA-N
XLogP1.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 51.60
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 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine (CID 126721634) is 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine is CNCc1cc(F)c(Cl)nc1OC.
What is the InChIKey of 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is QXRPKPOQCGENNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-11-4-5-3-6(10)7(9)12-8(5)13-2/h3,11H,4H2,1-2H3.
What are the key properties of 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 204.63 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-fluoro-2-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 126721634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).