2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H12ClN3 — CID 54944869

IUPAC2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Nc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C15H12ClN3/c16-12-4-6-13(7-5-12)18-15-11(9-17)8-10-2-1-3-14(10)19-15/h4-8H,1-3H2,(H,18,19)
InChIKeyUMIHPYHGXCVMDW-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 54944869) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID54944869
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Nc1ccc(Cl)cc1)CCC2
InChIInChI=1S/C15H12ClN3/c16-12-4-6-13(7-5-12)18-15-11(9-17)8-10-2-1-3-14(10)19-15/h4-8H,1-3H2,(H,18,19)
InChIKeyUMIHPYHGXCVMDW-UHFFFAOYSA-N
XLogP3.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-cyanoanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64916599
2-(2,4-dichloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63517647
2-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-(2-bromo-4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 81269273
2-[1-(4-chlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981704
2-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107635244
2-(1-benzothiophen-5-ylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60969662
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968717
2-(4-bromo-3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510886
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103586116

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 54944869) is 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Nc1ccc(Cl)cc1)CCC2.
What is the InChIKey of 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is UMIHPYHGXCVMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-4-6-13(7-5-12)18-15-11(9-17)8-10-2-1-3-14(10)19-15/h4-8H,1-3H2,(H,18,19).
What are the key properties of 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 269.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 54944869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).