1-(3-methylphenyl)-2H-pyridine

C12H13N — CID 57251201

IUPAC1-(3-methylphenyl)-2H-pyridine
SMILESCc1cccc(N2C=CC=CC2)c1
InChIInChI=1S/C12H13N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h2-8,10H,9H2,1H3
InChIKeyNARKMKKITWROKY-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.88
Rot. Bonds1

About 1-(3-methylphenyl)-2H-pyridine

1-(3-methylphenyl)-2H-pyridine (PubChem CID 57251201) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2H-pyridine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2H-pyridine
PubChem CID57251201
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name1-(3-methylphenyl)-2H-pyridine
SMILESCc1cccc(N2C=CC=CC2)c1
InChIInChI=1S/C12H13N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h2-8,10H,9H2,1H3
InChIKeyNARKMKKITWROKY-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-2,3,4-triazabicyclo[3.2.2]nona-1(7),5,8-triene
CID 70165942
(1S,5R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexane
CID 142421916
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
1-(2-bromophenyl)-2H-pyridine
CID 66960721
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
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1-(3-methylphenyl)-5-sulfanylidenepyrrolidin-2-one
CID 141465001
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713
bis(cyclopenta-1,3-diene);3-methylphenol
CID 67864963
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
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uranium;1,3-xylene
CID 142096795

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2H-pyridine?
The IUPAC name of 1-(3-methylphenyl)-2H-pyridine (CID 57251201) is 1-(3-methylphenyl)-2H-pyridine.
What is the SMILES notation for 1-(3-methylphenyl)-2H-pyridine?
The canonical SMILES for 1-(3-methylphenyl)-2H-pyridine is Cc1cccc(N2C=CC=CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2H-pyridine?
The InChIKey is NARKMKKITWROKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-11-6-5-7-12(10-11)13-8-3-2-4-9-13/h2-8,10H,9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2H-pyridine?
1-(3-methylphenyl)-2H-pyridine has a molecular weight of 171.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2H-pyridine is sourced from PubChem (CID 57251201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).