(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine

C8H12BrN3 — CID 130613828

IUPAC(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cnc([C@H](N)CN)c(Br)c1
InChIInChI=1S/C8H12BrN3/c1-5-2-6(9)8(12-4-5)7(11)3-10/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1
InChIKeyPGQLZRCLGUWDKU-SSDOTTSWSA-N
MW230.11 g/mol
LogP1.11
Rot. Bonds2

About (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine

(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 130613828) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID130613828
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cnc([C@H](N)CN)c(Br)c1
InChIInChI=1S/C8H12BrN3/c1-5-2-6(9)8(12-4-5)7(11)3-10/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1
InChIKeyPGQLZRCLGUWDKU-SSDOTTSWSA-N
XLogP1.11
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
2-(3-bromo-5-methyl-2-pyridinyl)-3-(4-bromophenyl)propanoic acid
CID 105368877
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516
methyl 3-amino-3-(3,5-dibromo-2-pyridinyl)propanoate
CID 112704590
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 105368853
(2R)-2-amino-2-(3,5-dibromo-4-methyl-2-pyridinyl)ethanol
CID 130614708
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
CID 122237447
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine (CID 130613828) is (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine is Cc1cnc([C@H](N)CN)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is PGQLZRCLGUWDKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-5-2-6(9)8(12-4-5)7(11)3-10/h2,4,7H,3,10-11H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine?
(1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 230.11 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-5-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 130613828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).