1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine

C13H12ClFN2 — CID 175646876

IUPAC1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C13H12ClFN2/c1-16-7-9-2-5-13(17-8-9)10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3
InChIKeyZGLRTRGKPGTASS-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.26
Rot. Bonds3

About 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine

1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 175646876) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID175646876
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C13H12ClFN2/c1-16-7-9-2-5-13(17-8-9)10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3
InChIKeyZGLRTRGKPGTASS-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine (CID 175646876) is 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(-c2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZGLRTRGKPGTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-16-7-9-2-5-13(17-8-9)10-3-4-11(14)12(15)6-10/h2-6,8,16H,7H2,1H3.
What are the key properties of 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine?
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 250.70 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 175646876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).