(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid

C13H11FN2O2 — CID 66996853

IUPAC(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16(13(17)18)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)
InChIKeyZNYSFXIYOBSOFK-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.91
Rot. Bonds3

About (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid

(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid (PubChem CID 66996853) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid
PubChem CID66996853
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16(13(17)18)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)
InChIKeyZNYSFXIYOBSOFK-UHFFFAOYSA-N
XLogP2.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid?
The IUPAC name of (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid (CID 66996853) is (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid.
What is the SMILES notation for (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid?
The canonical SMILES for (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid is O=C(O)N(Cc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid?
The InChIKey is ZNYSFXIYOBSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16(13(17)18)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid?
(4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid has a molecular weight of 246.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(pyridin-4-ylmethyl)carbamic acid is sourced from PubChem (CID 66996853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).