N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide

C11H10F4N2O — CID 122490223

IUPACN-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(C(F)(F)F)nc(C2CC2)c1F
InChIInChI=1S/C11H10F4N2O/c12-9-7(4-16-5-18)3-8(11(13,14)15)17-10(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,16,18)
InChIKeyMNTVYYHLDFWNNX-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.36
Rot. Bonds4

About N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide

N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide (PubChem CID 122490223) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide
PubChem CID122490223
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC NameN-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(C(F)(F)F)nc(C2CC2)c1F
InChIInChI=1S/C11H10F4N2O/c12-9-7(4-16-5-18)3-8(11(13,14)15)17-10(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,16,18)
InChIKeyMNTVYYHLDFWNNX-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;ethane
CID 145136282
N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide
CID 122514809
2-cyclopropyl-3-fluoro-4-iodo-6-(trifluoromethyl)pyridine;2-cyclopropyl-4-iodo-6-(trifluoromethyl)pyridin-3-amine
CID 158064623
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide
CID 122490238
2-cyclopropyl-4-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 139563775
N-[[5-fluoro-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]methyl]formamide
CID 145136530
N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]formamide
CID 122489027
N-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]cyclopropanamine
CID 165476052
N-cyclopentyl-3-cyclopropyl-5-(trifluoromethyl)pyrazin-2-amine
CID 155471527
2-cyclopropyl-4-ethyl-6-(trifluoromethyl)pyridine
CID 162614408
2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118848647

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide?
The IUPAC name of N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide (CID 122490223) is N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide is O=CNCc1cc(C(F)(F)F)nc(C2CC2)c1F.
What is the InChIKey of N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide?
The InChIKey is MNTVYYHLDFWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-9-7(4-16-5-18)3-8(11(13,14)15)17-10(9)6-1-2-6/h3,5-6H,1-2,4H2,(H,16,18).
What are the key properties of N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide?
N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide has a molecular weight of 262.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]formamide is sourced from PubChem (CID 122490223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).