[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid

C7H6F3N3O2 — CID 126664814

IUPAC[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESNc1cc(C(F)(F)F)ncc1NC(=O)O
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3(11)4(2-12-5)13-6(14)15/h1-2,13H,(H2,11,12)(H,14,15)
InChIKeyHHPZHXDOTNRSEL-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.77
Rot. Bonds1

About [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid

[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid (PubChem CID 126664814) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
PubChem CID126664814
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
SMILESNc1cc(C(F)(F)F)ncc1NC(=O)O
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3(11)4(2-12-5)13-6(14)15/h1-2,13H,(H2,11,12)(H,14,15)
InChIKeyHHPZHXDOTNRSEL-UHFFFAOYSA-N
XLogP1.77
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
CID 167506610
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 151240746
2-[5-hydroxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131472859
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
(6-fluoro-4-iodo-3-pyridinyl)carbamic acid
CID 66674148
[5-[1-[4-amino-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]carbamic acid
CID 67637170
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 91882810
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
2-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propoxy]ethanol
CID 106308969

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid (CID 126664814) is [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid is Nc1cc(C(F)(F)F)ncc1NC(=O)O.
What is the InChIKey of [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid?
The InChIKey is HHPZHXDOTNRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)5-1-3(11)4(2-12-5)13-6(14)15/h1-2,13H,(H2,11,12)(H,14,15).
What are the key properties of [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid?
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid has a molecular weight of 221.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 126664814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).