3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine

C13H20BrClN2 — CID 114835786

IUPAC3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C13H20BrClN2/c1-9(2)5-4-6-10(3)17-13-12(14)7-11(15)8-16-13/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyZZDIAZPDCAPBDE-UHFFFAOYSA-N
MW319.67 g/mol
LogP5.12
Rot. Bonds6

About 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine

3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine (PubChem CID 114835786) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
PubChem CID114835786
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC Name3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
SMILESCC(C)CCCC(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C13H20BrClN2/c1-9(2)5-4-6-10(3)17-13-12(14)7-11(15)8-16-13/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyZZDIAZPDCAPBDE-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.67
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-N-(6-methylheptan-2-yl)-5-nitropyridin-2-amine
CID 79534701
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-2-(4-methylpentoxy)pyridine
CID 114837631
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine (CID 114835786) is 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine is CC(C)CCCC(C)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine?
The InChIKey is ZZDIAZPDCAPBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2/c1-9(2)5-4-6-10(3)17-13-12(14)7-11(15)8-16-13/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine?
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine has a molecular weight of 319.67 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine is sourced from PubChem (CID 114835786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).