4-methyl-2,3-dihydropyridine-3-carbonitrile

C7H8N2 — CID 163792828

IUPAC4-methyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=CC=NCC1C#N
InChIInChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-3,7H,5H2,1H3
InChIKeyMYHAQPNBRMWGHO-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.16
Rot. Bonds

About 4-methyl-2,3-dihydropyridine-3-carbonitrile

4-methyl-2,3-dihydropyridine-3-carbonitrile (PubChem CID 163792828) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-methyl-2,3-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2,3-dihydropyridine-3-carbonitrile
PubChem CID163792828
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4-methyl-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=CC=NCC1C#N
InChIInChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-3,7H,5H2,1H3
InChIKeyMYHAQPNBRMWGHO-UHFFFAOYSA-N
XLogP1.16
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyridine-4-carbonitrile
CID 130331424
4-(Trifluoromethyl)-2,3-dihydropyridine-3-carbonitrile
CID 169221064
3,4-Dimethyl-2,3-dihydropyridine
CID 57300040
5-Propan-2-yl-2,3-dihydropyridine-2-carbonitrile
CID 89404742
2-(2,3-Dihydropyridin-4-yl)acetonitrile
CID 123602795
3-Methyl-2,3-dihydropyridine-5-carbonitrile
CID 132185218
(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile
CID 134379235
(3S)-3,4-dimethyl-2,3-dihydropyridine
CID 143546180
3-(2,3-Dihydropyridin-5-yl)butanenitrile
CID 146581168
2-Methyl-2,3-dihydropyridine-3-carbonitrile
CID 146932935
(E)-2-ethyl-4-methyliminobut-2-enenitrile
CID 163224262
4-ethyl-3-methyl-2H-pyridine-3-carbonitrile
CID 163833741

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2,3-dihydropyridine-3-carbonitrile (CID 163792828) is 4-methyl-2,3-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2,3-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2,3-dihydropyridine-3-carbonitrile is CC1=CC=NCC1C#N.
What is the InChIKey of 4-methyl-2,3-dihydropyridine-3-carbonitrile?
The InChIKey is MYHAQPNBRMWGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-2-3-9-5-7(6)4-8/h2-3,7H,5H2,1H3.
What are the key properties of 4-methyl-2,3-dihydropyridine-3-carbonitrile?
4-methyl-2,3-dihydropyridine-3-carbonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 163792828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).