3,7-dibromo-5-fluoroquinolin-2-amine

C9H5Br2FN2 — CID 138687958

IUPAC3,7-dibromo-5-fluoroquinolin-2-amine
SMILESNc1nc2cc(Br)cc(F)c2cc1Br
InChIInChI=1S/C9H5Br2FN2/c10-4-1-7(12)5-3-6(11)9(13)14-8(5)2-4/h1-3H,(H2,13,14)
InChIKeyIVDLSWCLXKRNSR-UHFFFAOYSA-N
MW319.96 g/mol
LogP3.48
Rot. Bonds

About 3,7-dibromo-5-fluoroquinolin-2-amine

3,7-dibromo-5-fluoroquinolin-2-amine (PubChem CID 138687958) has the molecular formula C9H5Br2FN2 and a molecular weight of 319.96 g/mol. Its IUPAC name is 3,7-dibromo-5-fluoroquinolin-2-amine.

Molecular Properties

Compound Name3,7-dibromo-5-fluoroquinolin-2-amine
PubChem CID138687958
Molecular FormulaC9H5Br2FN2
Molecular Weight319.96 g/mol
Exact Mass317.88
IUPAC Name3,7-dibromo-5-fluoroquinolin-2-amine
SMILESNc1nc2cc(Br)cc(F)c2cc1Br
InChIInChI=1S/C9H5Br2FN2/c10-4-1-7(12)5-3-6(11)9(13)14-8(5)2-4/h1-3H,(H2,13,14)
InChIKeyIVDLSWCLXKRNSR-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-7-fluoro-1,3-benzothiazol-2-amine
CID 126673815
7-bromo-3-fluoroquinolin-2-amine
CID 126637279
3-N-(4-bromo-2,6-difluorophenyl)quinoxaline-2,3-diamine
CID 102986610
4-(4-bromo-2,6-difluorophenyl)-1,3-thiazol-2-amine
CID 112562091
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine
CID 64983350
3,6-dibromo-7-iodoquinolin-2-amine
CID 171363911
7-tert-butyl-3-chloro-5-fluoroquinolin-2-amine
CID 155185035
6-bromo-4-fluoronaphthalen-2-amine
CID 115043475
7-bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
3-bromo-6-(trifluoromethyl)quinolin-2-amine
CID 97181843

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-5-fluoroquinolin-2-amine?
The IUPAC name of 3,7-dibromo-5-fluoroquinolin-2-amine (CID 138687958) is 3,7-dibromo-5-fluoroquinolin-2-amine.
What is the SMILES notation for 3,7-dibromo-5-fluoroquinolin-2-amine?
The canonical SMILES for 3,7-dibromo-5-fluoroquinolin-2-amine is Nc1nc2cc(Br)cc(F)c2cc1Br.
What is the InChIKey of 3,7-dibromo-5-fluoroquinolin-2-amine?
The InChIKey is IVDLSWCLXKRNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2FN2/c10-4-1-7(12)5-3-6(11)9(13)14-8(5)2-4/h1-3H,(H2,13,14).
What are the key properties of 3,7-dibromo-5-fluoroquinolin-2-amine?
3,7-dibromo-5-fluoroquinolin-2-amine has a molecular weight of 319.96 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-5-fluoroquinolin-2-amine is sourced from PubChem (CID 138687958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).