N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid

C9H7ClF3N3O4 — CID 175200549

IUPACN'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C(=O)Nc1ccc(Cl)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H6ClN3O2.C2HF3O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;3-2(4,5)1(6)7/h1-3H,(H2,9,12)(H,10,11,13);(H,6,7)
InChIKeyNMONJLAVVJHROL-UHFFFAOYSA-N
MW313.62 g/mol
LogP0.79
Rot. Bonds1

About N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid

N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid (PubChem CID 175200549) has the molecular formula C9H7ClF3N3O4 and a molecular weight of 313.62 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
PubChem CID175200549
Molecular FormulaC9H7ClF3N3O4
Molecular Weight313.62 g/mol
Exact Mass313.01
IUPAC NameN'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C(=O)Nc1ccc(Cl)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H6ClN3O2.C2HF3O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;3-2(4,5)1(6)7/h1-3H,(H2,9,12)(H,10,11,13);(H,6,7)
InChIKeyNMONJLAVVJHROL-UHFFFAOYSA-N
XLogP0.79
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.62
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide
CID 142197847
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-(5-chloro-2-pyridinyl)-2-[(4-ethylcyclohexyl)amino]propanamide;2,2,2-trifluoroacetic acid
CID 167792719
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid (CID 175200549) is N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid is NC(=O)C(=O)Nc1ccc(Cl)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NMONJLAVVJHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2.C2HF3O2/c8-4-1-2-5(10-3-4)11-7(13)6(9)12;3-2(4,5)1(6)7/h1-3H,(H2,9,12)(H,10,11,13);(H,6,7).
What are the key properties of N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid?
N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid has a molecular weight of 313.62 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175200549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).