2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine

C11H17BrClN3 — CID 114836303

IUPAC2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H17BrClN3/c1-7(2)3-9(5-14)16-11-10(12)4-8(13)6-15-11/h4,6-7,9H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyRKBKXUOEDYAETQ-UHFFFAOYSA-N
MW306.64 g/mol
LogP3.28
Rot. Bonds5

About 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine

2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine (PubChem CID 114836303) has the molecular formula C11H17BrClN3 and a molecular weight of 306.64 g/mol. Its IUPAC name is 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
PubChem CID114836303
Molecular FormulaC11H17BrClN3
Molecular Weight306.64 g/mol
Exact Mass305.03
IUPAC Name2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C11H17BrClN3/c1-7(2)3-9(5-14)16-11-10(12)4-8(13)6-15-11/h4,6-7,9H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyRKBKXUOEDYAETQ-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.64
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
2-N-(5-chloro-3-fluoro-2-pyridinyl)butane-1,2-diamine
CID 79728574

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine (CID 114836303) is 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine is CC(C)CC(CN)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine?
The InChIKey is RKBKXUOEDYAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3/c1-7(2)3-9(5-14)16-11-10(12)4-8(13)6-15-11/h4,6-7,9H,3,5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine?
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine has a molecular weight of 306.64 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 114836303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).