5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine

C9H12BrN3 — CID 103517534

IUPAC5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCC1CC1
InChIInChI=1S/C9H12BrN3/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-6/h4-6H,1-3,11H2,(H,12,13)
InChIKeyPALJSHZAKWWHJM-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine

5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine (PubChem CID 103517534) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
PubChem CID103517534
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
SMILESNc1cncc(Br)c1NCC1CC1
InChIInChI=1S/C9H12BrN3/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-6/h4-6H,1-3,11H2,(H,12,13)
InChIKeyPALJSHZAKWWHJM-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

3-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106119555
4-[[(3-bromo-5-nitro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130057
5-bromo-4-N-cycloheptylpyridine-3,4-diamine
CID 103517668
3-bromo-N-[(4-methylcyclohexyl)methyl]-5-nitropyridin-4-amine
CID 103519370
5-bromo-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine
CID 103517902
1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
5-bromo-4-N-cyclopent-3-en-1-ylpyridine-3,4-diamine
CID 103518477
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
4-[(3-amino-5-bromo-4-pyridinyl)amino]cyclohexan-1-ol
CID 103517535
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine (CID 103517534) is 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine is Nc1cncc(Br)c1NCC1CC1.
What is the InChIKey of 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
The InChIKey is PALJSHZAKWWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-7-4-12-5-8(11)9(7)13-3-6-1-2-6/h4-6H,1-3,11H2,(H,12,13).
What are the key properties of 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine?
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine has a molecular weight of 242.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 103517534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).