(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C15H14ClFN2 — CID 114885899

IUPAC(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(c1cc(Cl)ccc1F)C1CCc2cccnc21
InChIInChI=1S/C15H14ClFN2/c16-10-4-6-13(17)12(8-10)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2
InChIKeyYSEIURIQOLUSLL-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.60
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 114885899) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID114885899
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(c1cc(Cl)ccc1F)C1CCc2cccnc21
InChIInChI=1S/C15H14ClFN2/c16-10-4-6-13(17)12(8-10)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2
InChIKeyYSEIURIQOLUSLL-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylphenyl)methanamine
CID 79748906
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009692
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methoxyphenyl)methanamine
CID 79745843
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-ethylphenyl)methanamine
CID 105009866
(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
CID 105009947
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007448
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-2-yl)methanamine
CID 79745456
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 79732380

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 114885899) is (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is NC(c1cc(Cl)ccc1F)C1CCc2cccnc21.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is YSEIURIQOLUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-10-4-6-13(17)12(8-10)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 276.74 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 114885899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).