4-[(1S,2S)-2-methylcyclopropyl]pyridine

C9H11N — CID 40787591

IUPAC4-[(1S,2S)-2-methylcyclopropyl]pyridine
SMILESC[C@H]1C[C@@H]1c1ccncc1
InChIInChI=1S/C9H11N/c1-7-6-9(7)8-2-4-10-5-3-8/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1
InChIKeyPNZKSTJEQXQXGJ-CBAPKCEASA-N
MW133.19 g/mol
LogP2.20
Rot. Bonds1

About 4-[(1S,2S)-2-methylcyclopropyl]pyridine

4-[(1S,2S)-2-methylcyclopropyl]pyridine (PubChem CID 40787591) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 4-[(1S,2S)-2-methylcyclopropyl]pyridine.

Molecular Properties

Compound Name4-[(1S,2S)-2-methylcyclopropyl]pyridine
PubChem CID40787591
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name4-[(1S,2S)-2-methylcyclopropyl]pyridine
SMILESC[C@H]1C[C@@H]1c1ccncc1
InChIInChI=1S/C9H11N/c1-7-6-9(7)8-2-4-10-5-3-8/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1
InChIKeyPNZKSTJEQXQXGJ-CBAPKCEASA-N
XLogP2.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-methylcyclopropyl]pyridine?
The IUPAC name of 4-[(1S,2S)-2-methylcyclopropyl]pyridine (CID 40787591) is 4-[(1S,2S)-2-methylcyclopropyl]pyridine.
What is the SMILES notation for 4-[(1S,2S)-2-methylcyclopropyl]pyridine?
The canonical SMILES for 4-[(1S,2S)-2-methylcyclopropyl]pyridine is C[C@H]1C[C@@H]1c1ccncc1.
What is the InChIKey of 4-[(1S,2S)-2-methylcyclopropyl]pyridine?
The InChIKey is PNZKSTJEQXQXGJ-CBAPKCEASA-N. The full InChI is InChI=1S/C9H11N/c1-7-6-9(7)8-2-4-10-5-3-8/h2-5,7,9H,6H2,1H3/t7-,9-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-methylcyclopropyl]pyridine?
4-[(1S,2S)-2-methylcyclopropyl]pyridine has a molecular weight of 133.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-methylcyclopropyl]pyridine is sourced from PubChem (CID 40787591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).