[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol

C19H18FN3O — CID 167799537

IUPAC[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol
SMILESCN(Cc1ccc(-c2cccnc2)c(F)c1)c1ccnc(CO)c1
InChIInChI=1S/C19H18FN3O/c1-23(17-6-8-22-16(10-17)13-24)12-14-4-5-18(19(20)9-14)15-3-2-7-21-11-15/h2-11,24H,12-13H2,1H3
InChIKeyJLLHCBPNKWNOJG-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.41
Rot. Bonds5

About [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol

[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol (PubChem CID 167799537) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol
PubChem CID167799537
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol
SMILESCN(Cc1ccc(-c2cccnc2)c(F)c1)c1ccnc(CO)c1
InChIInChI=1S/C19H18FN3O/c1-23(17-6-8-22-16(10-17)13-24)12-14-4-5-18(19(20)9-14)15-3-2-7-21-11-15/h2-11,24H,12-13H2,1H3
InChIKeyJLLHCBPNKWNOJG-UHFFFAOYSA-N
XLogP3.41
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol?
The IUPAC name of [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol (CID 167799537) is [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol is CN(Cc1ccc(-c2cccnc2)c(F)c1)c1ccnc(CO)c1.
What is the InChIKey of [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol?
The InChIKey is JLLHCBPNKWNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-23(17-6-8-22-16(10-17)13-24)12-14-4-5-18(19(20)9-14)15-3-2-7-21-11-15/h2-11,24H,12-13H2,1H3.
What are the key properties of [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol?
[4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol has a molecular weight of 323.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-pyridin-3-ylphenyl)methyl-methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 167799537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).