(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone

C14H13BrN2O — CID 114329651

IUPAC(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cnccc2N)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-8-5-10(6-9(2)13(8)15)14(18)11-7-17-4-3-12(11)16/h3-7H,1-2H3,(H2,16,17)
InChIKeySPUAKDOCHUKQNI-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.27
Rot. Bonds2

About (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone

(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone (PubChem CID 114329651) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
PubChem CID114329651
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
SMILESCc1cc(C(=O)c2cnccc2N)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-8-5-10(6-9(2)13(8)15)14(18)11-7-17-4-3-12(11)16/h3-7H,1-2H3,(H2,16,17)
InChIKeySPUAKDOCHUKQNI-UHFFFAOYSA-N
XLogP3.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
CID 116548721
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
CID 116548154
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
CID 159414201
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone (CID 114329651) is (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone is Cc1cc(C(=O)c2cnccc2N)cc(C)c1Br.
What is the InChIKey of (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone?
The InChIKey is SPUAKDOCHUKQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-8-5-10(6-9(2)13(8)15)14(18)11-7-17-4-3-12(11)16/h3-7H,1-2H3,(H2,16,17).
What are the key properties of (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone?
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone has a molecular weight of 305.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 114329651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).