ethane;4-methylpyridine

C10H19N — CID 54305436

IUPACethane;4-methylpyridine
SMILESCC.CC.Cc1ccncc1
InChIInChI=1S/C6H7N.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeySHDXMJLRHFUPFQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.44
Rot. Bonds

About ethane;4-methylpyridine

ethane;4-methylpyridine (PubChem CID 54305436) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;4-methylpyridine.

Molecular Properties

Compound Nameethane;4-methylpyridine
PubChem CID54305436
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;4-methylpyridine
SMILESCC.CC.Cc1ccncc1
InChIInChI=1S/C6H7N.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeySHDXMJLRHFUPFQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrakis(4-methylpyridine);nickel
CID 160730254
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
deuterium monohydride;4-methylpyridine
CID 175130450
N,N-dimethylmethanamine;4-methylpyridine
CID 22155636
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
(E)-but-2-ene;4-methylpyridine;platinum(2+);dichloride
CID 171377193
ethane;bis(4-methylpyridine);4-methylpyrimidine
CID 143707387
isocyanic acid;4-methylpyridine
CID 174958459
formic acid;4-methylpyridine
CID 162172361
4-methylpyridine;sulfuric acid
CID 71383556
4-methylpyridine;thiophene
CID 145224941
acetic acid;iron;tris(4-methylpyridine);hydrate
CID 44661385

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpyridine?
The IUPAC name of ethane;4-methylpyridine (CID 54305436) is ethane;4-methylpyridine.
What is the SMILES notation for ethane;4-methylpyridine?
The canonical SMILES for ethane;4-methylpyridine is CC.CC.Cc1ccncc1.
What is the InChIKey of ethane;4-methylpyridine?
The InChIKey is SHDXMJLRHFUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C2H6/c1-6-2-4-7-5-3-6;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;4-methylpyridine?
ethane;4-methylpyridine has a molecular weight of 153.27 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpyridine is sourced from PubChem (CID 54305436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).