[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol

C13H13ClN2O — CID 12640218

IUPAC[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol
SMILESOCc1ccc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O/c14-11-3-1-2-10(6-11)7-15-12-4-5-13(9-17)16-8-12/h1-6,8,15,17H,7,9H2
InChIKeyPYVUVHKXMQWDED-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.84
Rot. Bonds4

About [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol

[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol (PubChem CID 12640218) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol
PubChem CID12640218
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol
SMILESOCc1ccc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O/c14-11-3-1-2-10(6-11)7-15-12-4-5-13(9-17)16-8-12/h1-6,8,15,17H,7,9H2
InChIKeyPYVUVHKXMQWDED-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol?
The IUPAC name of [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol (CID 12640218) is [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol is OCc1ccc(NCc2cccc(Cl)c2)cn1.
What is the InChIKey of [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol?
The InChIKey is PYVUVHKXMQWDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-3-1-2-10(6-11)7-15-12-4-5-13(9-17)16-8-12/h1-6,8,15,17H,7,9H2.
What are the key properties of [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol?
[5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol has a molecular weight of 248.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorophenyl)methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 12640218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).