[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid

C14H11F3N2O2 — CID 90705765

IUPAC[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C14H11F3N2O2/c1-8-3-2-4-11(18-8)10-6-5-9(14(15,16)17)7-12(10)19-13(20)21/h2-7,19H,1H3,(H,20,21)
InChIKeyCPIBVDFVNRKRLI-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.17
Rot. Bonds2

About [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid

[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 90705765) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid
PubChem CID90705765
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C14H11F3N2O2/c1-8-3-2-4-11(18-8)10-6-5-9(14(15,16)17)7-12(10)19-13(20)21/h2-7,19H,1H3,(H,20,21)
InChIKeyCPIBVDFVNRKRLI-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid (CID 90705765) is [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid is Cc1cccc(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1.
What is the InChIKey of [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is CPIBVDFVNRKRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-8-3-2-4-11(18-8)10-6-5-9(14(15,16)17)7-12(10)19-13(20)21/h2-7,19H,1H3,(H,20,21).
What are the key properties of [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid?
[2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 296.25 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 90705765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).