1-propan-2-yl-2H-pyridine

C8H13N — CID 18505181

IUPAC1-propan-2-yl-2H-pyridine
SMILESCC(C)N1C=CC=CC1
InChIInChI=1S/C8H13N/c1-8(2)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3
InChIKeyDPHWUQCXOBNREF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds1

About 1-propan-2-yl-2H-pyridine

1-propan-2-yl-2H-pyridine (PubChem CID 18505181) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name1-propan-2-yl-2H-pyridine
PubChem CID18505181
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-propan-2-yl-2H-pyridine
SMILESCC(C)N1C=CC=CC1
InChIInChI=1S/C8H13N/c1-8(2)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3
InChIKeyDPHWUQCXOBNREF-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2H-pyridine?
The IUPAC name of 1-propan-2-yl-2H-pyridine (CID 18505181) is 1-propan-2-yl-2H-pyridine.
What is the SMILES notation for 1-propan-2-yl-2H-pyridine?
The canonical SMILES for 1-propan-2-yl-2H-pyridine is CC(C)N1C=CC=CC1.
What is the InChIKey of 1-propan-2-yl-2H-pyridine?
The InChIKey is DPHWUQCXOBNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-8(2)9-6-4-3-5-7-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-2H-pyridine?
1-propan-2-yl-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2H-pyridine is sourced from PubChem (CID 18505181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).