4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine

C11H11BrN4 — CID 118249370

IUPAC4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine
SMILESCc1nccc(Nc2cc(Br)ccn2)c1N
InChIInChI=1S/C11H11BrN4/c1-7-11(13)9(3-5-14-7)16-10-6-8(12)2-4-15-10/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyZEAOPDMOZPYNMX-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine

4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine (PubChem CID 118249370) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine
PubChem CID118249370
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine
SMILESCc1nccc(Nc2cc(Br)ccn2)c1N
InChIInChI=1S/C11H11BrN4/c1-7-11(13)9(3-5-14-7)16-10-6-8(12)2-4-15-10/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyZEAOPDMOZPYNMX-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
CID 163235584
2-N-(2,4-dibromophenyl)-4-methylpyridine-2,5-diamine
CID 79173349
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
2-chloro-4-N-(3-methylphenyl)pyridine-3,4-diamine
CID 84697272
4-N-(2-methyl-3-pyridinyl)pyrimidine-4,6-diamine
CID 114561921
N-[2,3-bis(aminomethyl)phenyl]-4-methylpyridin-2-amine
CID 151683614
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327698
2-(3-bromoanilino)pyridine-4-carbothioamide
CID 24708483
2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide
CID 82758264
N-(4-bromo-2-pyridinyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 102674320
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine (CID 118249370) is 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine is Cc1nccc(Nc2cc(Br)ccn2)c1N.
What is the InChIKey of 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine?
The InChIKey is ZEAOPDMOZPYNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-11(13)9(3-5-14-7)16-10-6-8(12)2-4-15-10/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine?
4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-pyridinyl)-2-methylpyridine-3,4-diamine is sourced from PubChem (CID 118249370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).