5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

C15H14BrClN2 — CID 103583036

IUPAC5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESClc1cc(Br)cnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C15H14BrClN2/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h3,5,7-9H,1-2,4,6H2,(H,18,19)
InChIKeyUDWPKMZOPDGARF-UHFFFAOYSA-N
MW337.65 g/mol
LogP5.12
Rot. Bonds2

About 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine

5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (PubChem CID 103583036) has the molecular formula C15H14BrClN2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
PubChem CID103583036
Molecular FormulaC15H14BrClN2
Molecular Weight337.65 g/mol
Exact Mass336.00
IUPAC Name5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
SMILESClc1cc(Br)cnc1Nc1cccc2c1CCCC2
InChIInChI=1S/C15H14BrClN2/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h3,5,7-9H,1-2,4,6H2,(H,18,19)
InChIKeyUDWPKMZOPDGARF-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63462010
5-bromo-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80759991
5-bromo-2-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80920340
5-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 66218077
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
5-bromo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136970437
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-6-fluorobenzonitrile
CID 103583178
5-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)pyridin-2-amine
CID 103583157
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
6-chloro-5-propyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63734216
5-bromo-3-chloro-N-(3-fluorophenyl)pyridin-2-amine
CID 103583086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine (CID 103583036) is 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is Clc1cc(Br)cnc1Nc1cccc2c1CCCC2.
What is the InChIKey of 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
The InChIKey is UDWPKMZOPDGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2/c16-11-8-13(17)15(18-9-11)19-14-7-3-5-10-4-1-2-6-12(10)14/h3,5,7-9H,1-2,4,6H2,(H,18,19).
What are the key properties of 5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine has a molecular weight of 337.65 g/mol, XLogP of 5.12, 2 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-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridin-2-amine is sourced from PubChem (CID 103583036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).