5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine

C12H16BrClN2 — CID 103582526

IUPAC5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
SMILESCCC(CC1CC1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-2-10(5-8-3-4-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyAACABSWBXOIUGF-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.49
Rot. Bonds5

About 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine (PubChem CID 103582526) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
PubChem CID103582526
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine
SMILESCCC(CC1CC1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/c1-2-10(5-8-3-4-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyAACABSWBXOIUGF-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
N-(5-bromo-3-chloro-2-pyridinyl)-1-cyclohexylethane-1,2-diamine
CID 103582869
3-bromo-8-N-(1-cyclopropylbutan-2-yl)quinoline-5,8-diamine
CID 106949397
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
6-chloro-N-(1-cyclopropylbutan-2-yl)-5-ethylpyrimidin-4-amine
CID 63996761
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine (CID 103582526) is 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine is CCC(CC1CC1)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine?
The InChIKey is AACABSWBXOIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-2-10(5-8-3-4-8)16-12-11(14)6-9(13)7-15-12/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-cyclopropylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103582526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).