1-propyl-2H-pyridine

C8H13N — CID 18505126

IUPAC1-propyl-2H-pyridine
SMILESCCCN1C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h3-5,7H,2,6,8H2,1H3
InChIKeyBFEHJRCAUOMQSD-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.78
Rot. Bonds2

About 1-propyl-2H-pyridine

1-propyl-2H-pyridine (PubChem CID 18505126) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-propyl-2H-pyridine.

Molecular Properties

Compound Name1-propyl-2H-pyridine
PubChem CID18505126
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-propyl-2H-pyridine
SMILESCCCN1C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h3-5,7H,2,6,8H2,1H3
InChIKeyBFEHJRCAUOMQSD-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-propyl-2H-pyridine?
The IUPAC name of 1-propyl-2H-pyridine (CID 18505126) is 1-propyl-2H-pyridine.
What is the SMILES notation for 1-propyl-2H-pyridine?
The canonical SMILES for 1-propyl-2H-pyridine is CCCN1C=CC=CC1.
What is the InChIKey of 1-propyl-2H-pyridine?
The InChIKey is BFEHJRCAUOMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 1-propyl-2H-pyridine?
1-propyl-2H-pyridine has a molecular weight of 123.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-pyridine is sourced from PubChem (CID 18505126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).