N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C11H10F6N2O5 — CID 172678259

IUPACN-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCNC(=O)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8N2O.2C2HF3O2/c1-8-7(10)6-4-2-3-5-9-6;2*3-2(4,5)1(6)7/h2-5H,1H3,(H,8,10);2*(H,6,7)
InChIKeyAAPHOBGEHCTAHW-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.71
Rot. Bonds1

About N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172678259) has the molecular formula C11H10F6N2O5 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID172678259
Molecular FormulaC11H10F6N2O5
Molecular Weight364.20 g/mol
Exact Mass364.05
IUPAC NameN-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCNC(=O)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C7H8N2O.2C2HF3O2/c1-8-7(10)6-4-2-3-5-9-6;2*3-2(4,5)1(6)7/h2-5H,1H3,(H,8,10);2*(H,6,7)
InChIKeyAAPHOBGEHCTAHW-UHFFFAOYSA-N
XLogP1.71
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 56587859
2-methylpyridine;2,2,2-trifluoroacetic acid
CID 22066303
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
pyridine-2-carboximidamide;2,2,2-trifluoroacetic acid
CID 161312588
N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)pyridine-2-carbohydrazide
CID 74689752
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417
ethane;pyridine-2-carbonyl chloride
CID 158598971
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298
(Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-2-ylbut-3-en-2-one
CID 6917131
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867

Frequently Asked Questions

What is the IUPAC name of N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 172678259) is N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is CNC(=O)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is AAPHOBGEHCTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.2C2HF3O2/c1-8-7(10)6-4-2-3-5-9-6;2*3-2(4,5)1(6)7/h2-5H,1H3,(H,8,10);2*(H,6,7).
What are the key properties of N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 364.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172678259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).