2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol

C14H13ClF2N2O — CID 110898133

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C14H13ClF2N2O/c15-13-5-4-9(7-19-13)6-18-8-12(20)14-10(16)2-1-3-11(14)17/h1-5,7,12,18,20H,6,8H2
InChIKeyHQDHCLRKWDXVCQ-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.84
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol

2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol (PubChem CID 110898133) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
PubChem CID110898133
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C14H13ClF2N2O/c15-13-5-4-9(7-19-13)6-18-8-12(20)14-10(16)2-1-3-11(14)17/h1-5,7,12,18,20H,6,8H2
InChIKeyHQDHCLRKWDXVCQ-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]methanamine
CID 83338791
2-[(6-chloro-3-pyridinyl)methylamino]-1-(4-methylphenyl)ethanol
CID 111476645
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
1-N-[(6-chloro-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115683677
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
1-(2,6-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903674
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
1-(2,6-difluorophenyl)-2-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methylamino]ethanol
CID 167864929
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol (CID 110898133) is 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol is OC(CNCc1ccc(Cl)nc1)c1c(F)cccc1F.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is HQDHCLRKWDXVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c15-13-5-4-9(7-19-13)6-18-8-12(20)14-10(16)2-1-3-11(14)17/h1-5,7,12,18,20H,6,8H2.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol?
2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 298.72 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylamino]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 110898133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).