(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C10H9ClN2 — CID 126687549

IUPAC(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC[C@@H]1CCc2c1ncc(C#N)c2Cl
InChIInChI=1S/C10H9ClN2/c1-6-2-3-8-9(11)7(4-12)5-13-10(6)8/h5-6H,2-3H2,1H3/t6-/m1/s1
InChIKeyRQKSTAWPYCNOLW-ZCFIWIBFSA-N
MW192.65 g/mol
LogP2.66
Rot. Bonds

About (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 126687549) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID126687549
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC[C@@H]1CCc2c1ncc(C#N)c2Cl
InChIInChI=1S/C10H9ClN2/c1-6-2-3-8-9(11)7(4-12)5-13-10(6)8/h5-6H,2-3H2,1H3/t6-/m1/s1
InChIKeyRQKSTAWPYCNOLW-ZCFIWIBFSA-N
XLogP2.66
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 126687549) is (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C[C@@H]1CCc2c1ncc(C#N)c2Cl.
What is the InChIKey of (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is RQKSTAWPYCNOLW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-2-3-8-9(11)7(4-12)5-13-10(6)8/h5-6H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
(7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-chloro-7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 126687549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).