2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile

C10H11BrN2O — CID 130509135

IUPAC2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-10(6-12,7-14)13-9-4-2-3-8(11)5-9/h2-5,13-14H,7H2,1H3
InChIKeyIDNORCRQDSGMHM-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.14
Rot. Bonds3

About 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile

2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile (PubChem CID 130509135) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
PubChem CID130509135
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
SMILESCC(C#N)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C10H11BrN2O/c1-10(6-12,7-14)13-9-4-2-3-8(11)5-9/h2-5,13-14H,7H2,1H3
InChIKeyIDNORCRQDSGMHM-UHFFFAOYSA-N
XLogP2.14
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
2-(3-bromoanilino)-3-(4-fluorophenyl)-2-methylpropanenitrile
CID 114831825
2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(3-bromoanilino)-2-(2-methylphenyl)propan-1-ol
CID 61048061
2-(3-bromoanilino)-2-[4-(dimethylamino)phenyl]propanenitrile
CID 60990280
2-(3-bromoanilino)-2-cyclohexylpropanenitrile
CID 54886889
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068
2-(3-fluoroanilino)-2-methylpentanenitrile
CID 60990230
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile
CID 62535308

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile?
The IUPAC name of 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile (CID 130509135) is 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile?
The canonical SMILES for 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile is CC(C#N)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile?
The InChIKey is IDNORCRQDSGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-10(6-12,7-14)13-9-4-2-3-8(11)5-9/h2-5,13-14H,7H2,1H3.
What are the key properties of 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile?
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile has a molecular weight of 255.11 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 130509135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).