3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine

C9H12BrN3 — CID 79534274

IUPAC3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine
SMILESCC1CC1Nc1ncc(N)cc1Br
InChIInChI=1S/C9H12BrN3/c1-5-2-8(5)13-9-7(10)3-6(11)4-12-9/h3-5,8H,2,11H2,1H3,(H,12,13)
InChIKeyORCUOOINAFESSV-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.25
Rot. Bonds2

About 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine

3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine (PubChem CID 79534274) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine
PubChem CID79534274
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine
SMILESCC1CC1Nc1ncc(N)cc1Br
InChIInChI=1S/C9H12BrN3/c1-5-2-8(5)13-9-7(10)3-6(11)4-12-9/h3-5,8H,2,11H2,1H3,(H,12,13)
InChIKeyORCUOOINAFESSV-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3H-imidazo(4,5-b)pyridine-2-thiol
CID 911730
5-Bromopyridine-2,3-diamine
CID 691156
6-bromo-3H-imidazo[4,5-b]pyridin-2-ol
CID 1924413
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-N-methylpyridine-2,3-diamine
CID 12343669
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
3-bromo-N-phenylpyridin-2-amine
CID 10610607
1-[2-(3a,7a-dihydro-1H-benzimidazol-2-yl)ethyl]-3-(5-bromo-2-pyridinyl)thiourea
CID 44356563
3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 44523004
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
CID 75379535
2-[6-(Ethylamino)-3-pyridinyl]guanidine;hydrochloride
CID 118730395

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine (CID 79534274) is 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine is CC1CC1Nc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine?
The InChIKey is ORCUOOINAFESSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-5-2-8(5)13-9-7(10)3-6(11)4-12-9/h3-5,8H,2,11H2,1H3,(H,12,13).
What are the key properties of 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine?
3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine has a molecular weight of 242.12 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine is sourced from PubChem (CID 79534274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).