[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid

C14H10FN3O2 — CID 139388274

IUPAC[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid
SMILESN#Cc1ccc(-c2ccc(CNC(=O)O)cn2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-12-5-10(2-3-11(12)6-16)13-4-1-9(7-17-13)8-18-14(19)20/h1-5,7,18H,8H2,(H,19,20)
InChIKeyAUBJSVYMAODBSY-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.53
Rot. Bonds3

About [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid

[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid (PubChem CID 139388274) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid
PubChem CID139388274
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid
SMILESN#Cc1ccc(-c2ccc(CNC(=O)O)cn2)cc1F
InChIInChI=1S/C14H10FN3O2/c15-12-5-10(2-3-11(12)6-16)13-4-1-9(7-17-13)8-18-14(19)20/h1-5,7,18H,8H2,(H,19,20)
InChIKeyAUBJSVYMAODBSY-UHFFFAOYSA-N
XLogP2.53
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid (CID 139388274) is [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid is N#Cc1ccc(-c2ccc(CNC(=O)O)cn2)cc1F.
What is the InChIKey of [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is AUBJSVYMAODBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-5-10(2-3-11(12)6-16)13-4-1-9(7-17-13)8-18-14(19)20/h1-5,7,18H,8H2,(H,19,20).
What are the key properties of [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid?
[6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 271.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-cyano-3-fluorophenyl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 139388274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).