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

C14H12BrIN2 — CID 114259315

IUPACN-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESBrc1ccc(I)c(NC2CCc3cccnc32)c1
InChIInChI=1S/C14H12BrIN2/c15-10-4-5-11(16)13(8-10)18-12-6-3-9-2-1-7-17-14(9)12/h1-2,4-5,7-8,12,18H,3,6H2
InChIKeyULQDQSAXFZVWKI-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.55
Rot. Bonds2

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

N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 114259315) has the molecular formula C14H12BrIN2 and a molecular weight of 415.07 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID114259315
Molecular FormulaC14H12BrIN2
Molecular Weight415.07 g/mol
Exact Mass413.92
IUPAC NameN-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESBrc1ccc(I)c(NC2CCc3cccnc32)c1
InChIInChI=1S/C14H12BrIN2/c15-10-4-5-11(16)13(8-10)18-12-6-3-9-2-1-7-17-14(9)12/h1-2,4-5,7-8,12,18H,3,6H2
InChIKeyULQDQSAXFZVWKI-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774191
N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772831
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
CID 107803892
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
N-(2-bromo-4-methyl-5-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774247
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772891
N-(4-iodo-2-methylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079954
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
CID 102772599
N-(4-bromo-2,6-dimethylphenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078755
N-(2-adamantyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773161

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 114259315) is N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Brc1ccc(I)c(NC2CCc3cccnc32)c1.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is ULQDQSAXFZVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2/c15-10-4-5-11(16)13(8-10)18-12-6-3-9-2-1-7-17-14(9)12/h1-2,4-5,7-8,12,18H,3,6H2.
What are the key properties of N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 415.07 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 114259315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).