amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid

C7H6F3N3O2 — CID 174570503

IUPACamino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESNN(C(=O)O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-3-4)13(11)6(14)15/h1-3H,11H2,(H,14,15)
InChIKeyIZKRWBVEDWGLNW-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.46
Rot. Bonds1

About amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid

amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid (PubChem CID 174570503) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Nameamino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
PubChem CID174570503
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Nameamino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
SMILESNN(C(=O)O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-3-4)13(11)6(14)15/h1-3H,11H2,(H,14,15)
InChIKeyIZKRWBVEDWGLNW-UHFFFAOYSA-N
XLogP1.46
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carbohydrazide
CID 154695714
2,2,2-trifluoro-N-[5-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]acetohydrazide
CID 154049346
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839687
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
4-[ethyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66247641
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 176896908
4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66235369
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
CID 60874752
3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]benzenecarbothioamide
CID 62971749
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 79652291

Frequently Asked Questions

What is the IUPAC name of amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The IUPAC name of amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid (CID 174570503) is amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid is NN(C(=O)O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid?
The InChIKey is IZKRWBVEDWGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-3-4)13(11)6(14)15/h1-3H,11H2,(H,14,15).
What are the key properties of amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid?
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid has a molecular weight of 221.14 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 174570503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).