N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C14H11BrF2N2 — CID 102772831

IUPACN-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESFc1cc(F)c(NC2CCc3cccnc32)c(Br)c1
InChIInChI=1S/C14H11BrF2N2/c15-10-6-9(16)7-11(17)14(10)19-12-4-3-8-2-1-5-18-13(8)12/h1-2,5-7,12,19H,3-4H2
InChIKeyIQAZXRSCLUCANJ-UHFFFAOYSA-N
MW325.16 g/mol
LogP4.22
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102772831) has the molecular formula C14H11BrF2N2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102772831
Molecular FormulaC14H11BrF2N2
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESFc1cc(F)c(NC2CCc3cccnc32)c(Br)c1
InChIInChI=1S/C14H11BrF2N2/c15-10-6-9(16)7-11(17)14(10)19-12-4-3-8-2-1-5-18-13(8)12/h1-2,5-7,12,19H,3-4H2
InChIKeyIQAZXRSCLUCANJ-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114259315
N-[(2,4-difluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773684
N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774191
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(2,5-difluorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079820
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43775070
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102772831) is N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Fc1cc(F)c(NC2CCc3cccnc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is IQAZXRSCLUCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2/c15-10-6-9(16)7-11(17)14(10)19-12-4-3-8-2-1-5-18-13(8)12/h1-2,5-7,12,19H,3-4H2.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 325.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102772831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).