deuterium monohydride;4-methylpyridine

C6H9N — CID 175130450

IUPACdeuterium monohydride;4-methylpyridine
SMILESCc1ccncc1.[H][2H]
InChIInChI=1S/C6H7N.H2/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H/i;1+1
InChIKeyLRXUFSPPKYNFKM-IEOVAKBOSA-N
MW96.15 g/mol
LogP1.64
Rot. Bonds

About deuterium monohydride;4-methylpyridine

deuterium monohydride;4-methylpyridine (PubChem CID 175130450) has the molecular formula C6H9N and a molecular weight of 96.15 g/mol. Its IUPAC name is deuterium monohydride;4-methylpyridine.

Molecular Properties

Compound Namedeuterium monohydride;4-methylpyridine
PubChem CID175130450
Molecular FormulaC6H9N
Molecular Weight96.15 g/mol
Exact Mass96.08
IUPAC Namedeuterium monohydride;4-methylpyridine
SMILESCc1ccncc1.[H][2H]
InChIInChI=1S/C6H7N.H2/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H/i;1+1
InChIKeyLRXUFSPPKYNFKM-IEOVAKBOSA-N
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.15
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;4-methylpyridine?
The IUPAC name of deuterium monohydride;4-methylpyridine (CID 175130450) is deuterium monohydride;4-methylpyridine.
What is the SMILES notation for deuterium monohydride;4-methylpyridine?
The canonical SMILES for deuterium monohydride;4-methylpyridine is Cc1ccncc1.[H][2H].
What is the InChIKey of deuterium monohydride;4-methylpyridine?
The InChIKey is LRXUFSPPKYNFKM-IEOVAKBOSA-N. The full InChI is InChI=1S/C6H7N.H2/c1-6-2-4-7-5-3-6;/h2-5H,1H3;1H/i;1+1.
What are the key properties of deuterium monohydride;4-methylpyridine?
deuterium monohydride;4-methylpyridine has a molecular weight of 96.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;4-methylpyridine is sourced from PubChem (CID 175130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).