[3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol

C13H12ClFN2O — CID 86781539

IUPAC[3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-11-5-9(1-2-12(11)15)6-17-13-7-16-4-3-10(13)8-18/h1-5,7,17-18H,6,8H2
InChIKeyGFRXDMPZCQPBTG-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.98
Rot. Bonds4

About [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol

[3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol (PubChem CID 86781539) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol
PubChem CID86781539
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name[3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol
SMILESOCc1ccncc1NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H12ClFN2O/c14-11-5-9(1-2-12(11)15)6-17-13-7-16-4-3-10(13)8-18/h1-5,7,17-18H,6,8H2
InChIKeyGFRXDMPZCQPBTG-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

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol (CID 86781539) is [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol is OCc1ccncc1NCc1ccc(F)c(Cl)c1.
What is the InChIKey of [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol?
The InChIKey is GFRXDMPZCQPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-11-5-9(1-2-12(11)15)6-17-13-7-16-4-3-10(13)8-18/h1-5,7,17-18H,6,8H2.
What are the key properties of [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol?
[3-[(3-chloro-4-fluorophenyl)methylamino]-4-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 [3-[(3-chloro-4-fluorophenyl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 86781539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).