2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol

C14H14ClFN2O — CID 78928707

IUPAC2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14ClFN2O/c1-9-2-5-14(19)13(18-9)8-17-7-10-3-4-12(16)11(15)6-10/h2-6,17,19H,7-8H2,1H3
InChIKeyVMAJFRFAYIVJMU-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.18
Rot. Bonds4

About 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol

2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928707) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID78928707
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14ClFN2O/c1-9-2-5-14(19)13(18-9)8-17-7-10-3-4-12(16)11(15)6-10/h2-6,17,19H,7-8H2,1H3
InChIKeyVMAJFRFAYIVJMU-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol (CID 78928707) is 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is VMAJFRFAYIVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-9-2-5-14(19)13(18-9)8-17-7-10-3-4-12(16)11(15)6-10/h2-6,17,19H,7-8H2,1H3.
What are the key properties of 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol?
2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 280.73 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).