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

C11H17BrClN3 — CID 103582865

IUPAC1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Br)cc1Cl
InChIInChI=1S/C11H17BrClN3/c1-3-11(14,4-2)7-16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyRDXGSHVIDPLFIX-UHFFFAOYSA-N
MW306.64 g/mol
LogP3.43
Rot. Bonds5

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

1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine (PubChem CID 103582865) has the molecular formula C11H17BrClN3 and a molecular weight of 306.64 g/mol. Its IUPAC name is 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
PubChem CID103582865
Molecular FormulaC11H17BrClN3
Molecular Weight306.64 g/mol
Exact Mass305.03
IUPAC Name1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Br)cc1Cl
InChIInChI=1S/C11H17BrClN3/c1-3-11(14,4-2)7-16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyRDXGSHVIDPLFIX-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
CID 115306111
3-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
5-bromo-3-chloro-N-(1-ethylcyclobutyl)pyridin-2-amine
CID 103582636

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine (CID 103582865) is 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNc1ncc(Br)cc1Cl.
What is the InChIKey of 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
The InChIKey is RDXGSHVIDPLFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClN3/c1-3-11(14,4-2)7-16-10-9(13)5-8(12)6-15-10/h5-6H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine?
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine has a molecular weight of 306.64 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 103582865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).