3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile

C10H10BrFN2 — CID 107599348

IUPAC3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
SMILESCC(C#N)CNc1c(F)cccc1Br
InChIInChI=1S/C10H10BrFN2/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7,14H,6H2,1H3
InChIKeyJCDVXMWVZSUFHY-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile

3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile (PubChem CID 107599348) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
PubChem CID107599348
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile
SMILESCC(C#N)CNc1c(F)cccc1Br
InChIInChI=1S/C10H10BrFN2/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7,14H,6H2,1H3
InChIKeyJCDVXMWVZSUFHY-UHFFFAOYSA-N
XLogP3.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
2-bromo-6-fluoro-N-(3-methoxy-2-methylpropyl)aniline
CID 107598486
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropanenitrile
CID 131201275
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2,6-difluoro-N-(2-methylpropyl)aniline
CID 28974507
2-bromo-6-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103741861
2-bromo-6-fluoro-N-methylaniline
CID 21161540
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
CID 107598972
3-(2,5-difluoroanilino)-2-methylpropanenitrile
CID 43367507

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile?
The IUPAC name of 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile (CID 107599348) is 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile?
The canonical SMILES for 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile is CC(C#N)CNc1c(F)cccc1Br.
What is the InChIKey of 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile?
The InChIKey is JCDVXMWVZSUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c1-7(5-13)6-14-10-8(11)3-2-4-9(10)12/h2-4,7,14H,6H2,1H3.
What are the key properties of 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile?
3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile has a molecular weight of 257.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluoroanilino)-2-methylpropanenitrile is sourced from PubChem (CID 107599348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).