[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol

C13H12ClFN2O — CID 59593272

IUPAC[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol
SMILESOCc1ccc(NCc2ccc(Cl)cc2)nc1F
InChIInChI=1S/C13H12ClFN2O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12/h1-6,18H,7-8H2,(H,16,17)
InChIKeyDWRBZLAWXXNYHL-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.98
Rot. Bonds4

About [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol

[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol (PubChem CID 59593272) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol
PubChem CID59593272
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol
SMILESOCc1ccc(NCc2ccc(Cl)cc2)nc1F
InChIInChI=1S/C13H12ClFN2O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12/h1-6,18H,7-8H2,(H,16,17)
InChIKeyDWRBZLAWXXNYHL-UHFFFAOYSA-N
XLogP2.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol?
The IUPAC name of [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol (CID 59593272) is [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol is OCc1ccc(NCc2ccc(Cl)cc2)nc1F.
What is the InChIKey of [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol?
The InChIKey is DWRBZLAWXXNYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12/h1-6,18H,7-8H2,(H,16,17).
What are the key properties of [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol?
[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol has a molecular weight of 266.70 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 59593272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).