2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile

C14H12BrN3 — CID 113457122

IUPAC2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccccc2Br)cn1
InChIInChI=1S/C14H12BrN3/c1-10-6-7-11(9-17-10)14(8-16)18-13-5-3-2-4-12(13)15/h2-7,9,14,18H,1H3
InChIKeyWZUBRLWUWSZZMU-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile

2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile (PubChem CID 113457122) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
PubChem CID113457122
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCc1ccc(C(C#N)Nc2ccccc2Br)cn1
InChIInChI=1S/C14H12BrN3/c1-10-6-7-11(9-17-10)14(8-16)18-13-5-3-2-4-12(13)15/h2-7,9,14,18H,1H3
InChIKeyWZUBRLWUWSZZMU-UHFFFAOYSA-N
XLogP3.83
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lanicemine
CID 9794203
Nomelidine
CID 5378630
Norzimelidine
CID 6437872
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
n-Benzyl-2-(pyridin-2-yl)ethanamine
CID 238354
4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 742755
4-methyl-N-[2-(6-methylpyridin-3-yl)ethyl]aniline
CID 778446
Benzeneacetonitrile, 4-bromo-alpha-(3-pyridinylmethylene)-
CID 5819183
2-[(E)-2-(4-bromophenyl)ethenyl]-1-methylpyridinium
CID 5926345
cis-[3-(2-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 12930058
cis-[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-methyl-amine;C2H4O4
CID 20478947

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile (CID 113457122) is 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile is Cc1ccc(C(C#N)Nc2ccccc2Br)cn1.
What is the InChIKey of 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is WZUBRLWUWSZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-6-7-11(9-17-10)14(8-16)18-13-5-3-2-4-12(13)15/h2-7,9,14,18H,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile?
2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 113457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).