[4-(trifluoromethyl)-2-pyridinyl]carbamic acid

C7H5F3N2O2 — CID 67479537

IUPAC[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-11-5(3-4)12-6(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyOCLOCTYWAWXTCC-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.19
Rot. Bonds1

About [4-(trifluoromethyl)-2-pyridinyl]carbamic acid

[4-(trifluoromethyl)-2-pyridinyl]carbamic acid (PubChem CID 67479537) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
PubChem CID67479537
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-11-5(3-4)12-6(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyOCLOCTYWAWXTCC-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoylamino]butanoic acid
CID 122089424
2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
CID 138020244
3-[methyl-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]propanoic acid
CID 122089428
[4-(trifluoromethyl)-2-pyridinyl]sulfamic acid
CID 102006525
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
1-(2-methylsulfanylethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 154798205

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The IUPAC name of [4-(trifluoromethyl)-2-pyridinyl]carbamic acid (CID 67479537) is [4-(trifluoromethyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-(trifluoromethyl)-2-pyridinyl]carbamic acid is O=C(O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of [4-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The InChIKey is OCLOCTYWAWXTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-11-5(3-4)12-6(13)14/h1-3H,(H,11,12)(H,13,14).
What are the key properties of [4-(trifluoromethyl)-2-pyridinyl]carbamic acid?
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid has a molecular weight of 206.12 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 67479537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).