2-methyl-5-pent-1-ynylpyridine

C11H13N — CID 145255201

IUPAC2-methyl-5-pent-1-ynylpyridine
SMILESCCCC#Cc1ccc(C)nc1
InChIInChI=1S/C11H13N/c1-3-4-5-6-11-8-7-10(2)12-9-11/h7-9H,3-4H2,1-2H3
InChIKeyUVAFNDLSPWAHQC-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.54
Rot. Bonds1

About 2-methyl-5-pent-1-ynylpyridine

2-methyl-5-pent-1-ynylpyridine (PubChem CID 145255201) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methyl-5-pent-1-ynylpyridine.

Molecular Properties

Compound Name2-methyl-5-pent-1-ynylpyridine
PubChem CID145255201
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-methyl-5-pent-1-ynylpyridine
SMILESCCCC#Cc1ccc(C)nc1
InChIInChI=1S/C11H13N/c1-3-4-5-6-11-8-7-10(2)12-9-11/h7-9H,3-4H2,1-2H3
InChIKeyUVAFNDLSPWAHQC-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-pent-1-ynylpyridin-2-amine
CID 118218227
2-methyl-5-prop-1-ynylpyridine
CID 15373699
6-methylpyridine-3-carbonitrile;propane
CID 142590874
1-[3-(6-methyl-3-pyridinyl)prop-2-ynyl]pyrrole-2,5-dione
CID 142846520
5-(2-isothiocyanatoethynyl)-2-methylpyridine
CID 176767960
2-chloro-1-methyl-4-pent-1-ynylbenzene
CID 130055675
2-(3,4-difluorophenyl)-5-pent-1-ynylpyrimidine
CID 23297042
2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
CID 18763105
1-chloro-4-(4-pent-1-ynylphenyl)benzene
CID 19386294
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
tert-butyl 3-(6-methyl-3-pyridinyl)prop-2-ynoate
CID 165467310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pent-1-ynylpyridine?
The IUPAC name of 2-methyl-5-pent-1-ynylpyridine (CID 145255201) is 2-methyl-5-pent-1-ynylpyridine.
What is the SMILES notation for 2-methyl-5-pent-1-ynylpyridine?
The canonical SMILES for 2-methyl-5-pent-1-ynylpyridine is CCCC#Cc1ccc(C)nc1.
What is the InChIKey of 2-methyl-5-pent-1-ynylpyridine?
The InChIKey is UVAFNDLSPWAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-3-4-5-6-11-8-7-10(2)12-9-11/h7-9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-pent-1-ynylpyridine?
2-methyl-5-pent-1-ynylpyridine has a molecular weight of 159.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pent-1-ynylpyridine is sourced from PubChem (CID 145255201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).