(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone

C13H11BrN2O — CID 103083606

IUPAC(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cccnc1N
InChIInChI=1S/C13H11BrN2O/c1-8-7-9(14)4-5-10(8)12(17)11-3-2-6-16-13(11)15/h2-7H,1H3,(H2,15,16)
InChIKeyMYZKFKMTFUSYBX-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.97
Rot. Bonds2

About (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone

(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone (PubChem CID 103083606) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
PubChem CID103083606
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
SMILESCc1cc(Br)ccc1C(=O)c1cccnc1N
InChIInChI=1S/C13H11BrN2O/c1-8-7-9(14)4-5-10(8)12(17)11-3-2-6-16-13(11)15/h2-7H,1H3,(H2,15,16)
InChIKeyMYZKFKMTFUSYBX-UHFFFAOYSA-N
XLogP2.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083607
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2-amino-3-pyridinyl)-(2-methylfuran-3-yl)methanone
CID 104789356
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 18405006
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797276
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone (CID 103083606) is (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone is Cc1cc(Br)ccc1C(=O)c1cccnc1N.
What is the InChIKey of (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
The InChIKey is MYZKFKMTFUSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-8-7-9(14)4-5-10(8)12(17)11-3-2-6-16-13(11)15/h2-7H,1H3,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone?
(2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone has a molecular weight of 291.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone is sourced from PubChem (CID 103083606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).