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

C16H13F2N3 — CID 103586116

IUPAC2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(F)c(Nc2nc3c(cc2C#N)CCC3)cc1F
InChIInChI=1S/C16H13F2N3/c1-9-5-13(18)15(7-12(9)17)21-16-11(8-19)6-10-3-2-4-14(10)20-16/h5-7H,2-4H2,1H3,(H,20,21)
InChIKeyDPHIGXQSAWJWQD-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.77
Rot. Bonds2

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

2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 103586116) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID103586116
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(F)c(Nc2nc3c(cc2C#N)CCC3)cc1F
InChIInChI=1S/C16H13F2N3/c1-9-5-13(18)15(7-12(9)17)21-16-11(8-19)6-10-3-2-4-14(10)20-16/h5-7H,2-4H2,1H3,(H,20,21)
InChIKeyDPHIGXQSAWJWQD-UHFFFAOYSA-N
XLogP3.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.77
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-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944869
2-(2,4-dichloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63517647
2-[(1-methylpyrazol-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968717
2-(2-bromo-4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 81269273
2-(4-bromo-3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510886
2-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107635244
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carbonitrile
CID 103584541
2-(3-bromo-5-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107583634
2-[(3,5-dimethylcyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64723768
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 103586116) is 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1cc(F)c(Nc2nc3c(cc2C#N)CCC3)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is DPHIGXQSAWJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-9-5-13(18)15(7-12(9)17)21-16-11(8-19)6-10-3-2-4-14(10)20-16/h5-7H,2-4H2,1H3,(H,20,21).
What are the key properties of 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 285.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 103586116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).