3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide

C7H5ClF3N3O — CID 170350879

IUPAC3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)cc(C(F)(F)F)c1N
InChIInChI=1S/C7H5ClF3N3O/c8-3-1-2(7(9,10)11)4(12)5(14-3)6(13)15/h1H,12H2,(H2,13,15)
InChIKeyMXAAJTUJNZPUJX-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.43
Rot. Bonds1

About 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170350879) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID170350879
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC Name3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESNC(=O)c1nc(Cl)cc(C(F)(F)F)c1N
InChIInChI=1S/C7H5ClF3N3O/c8-3-1-2(7(9,10)11)4(12)5(14-3)6(13)15/h1H,12H2,(H2,13,15)
InChIKeyMXAAJTUJNZPUJX-UHFFFAOYSA-N
XLogP1.43
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 10749704
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CID 57461139
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CID 59534429
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CID 778197
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CID 667946
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CID 10820792
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CID 15067141
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide (CID 170350879) is 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide is NC(=O)c1nc(Cl)cc(C(F)(F)F)c1N.
What is the InChIKey of 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MXAAJTUJNZPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c8-3-1-2(7(9,10)11)4(12)5(14-3)6(13)15/h1H,12H2,(H2,13,15).
What are the key properties of 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 239.58 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170350879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).