N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C14H12BrFN2 — CID 102773903

IUPACN-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESFc1cc(NC2CCc3cccnc32)ccc1Br
InChIInChI=1S/C14H12BrFN2/c15-11-5-4-10(8-12(11)16)18-13-6-3-9-2-1-7-17-14(9)13/h1-2,4-5,7-8,13,18H,3,6H2
InChIKeyYHTPJURDUKGMDY-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.08
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773903) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773903
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESFc1cc(NC2CCc3cccnc32)ccc1Br
InChIInChI=1S/C14H12BrFN2/c15-11-5-4-10(8-12(11)16)18-13-6-3-9-2-1-7-17-14(9)13/h1-2,4-5,7-8,13,18H,3,6H2
InChIKeyYHTPJURDUKGMDY-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772831
N-(4-bromo-3-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773966
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-benzothiazol-6-amine
CID 107803892
N-(4-bromonaphthalen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774191
1-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 102772921
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzonitrile
CID 102772599
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102772556
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773903) is N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Fc1cc(NC2CCc3cccnc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is YHTPJURDUKGMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c15-11-5-4-10(8-12(11)16)18-13-6-3-9-2-1-7-17-14(9)13/h1-2,4-5,7-8,13,18H,3,6H2.
What are the key properties of N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 307.17 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).