(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile

C11H9ClN4 — CID 6934194

IUPAC(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
SMILESCn1cccc1[C@@H](C#N)c1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4/c1-16-6-2-3-10(16)8(7-13)9-4-5-11(12)15-14-9/h2-6,8H,1H3/t8-/m0/s1
InChIKeyXKFNESKFZGKRQI-QMMMGPOBSA-N
MW232.67 g/mol
LogP2.12
Rot. Bonds2

About (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile

(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile (PubChem CID 6934194) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
PubChem CID6934194
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
SMILESCn1cccc1[C@@H](C#N)c1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4/c1-16-6-2-3-10(16)8(7-13)9-4-5-11(12)15-14-9/h2-6,8H,1H3/t8-/m0/s1
InChIKeyXKFNESKFZGKRQI-QMMMGPOBSA-N
XLogP2.12
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile?
The IUPAC name of (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile (CID 6934194) is (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile.
What is the SMILES notation for (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile?
The canonical SMILES for (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile is Cn1cccc1[C@@H](C#N)c1ccc(Cl)nn1.
What is the InChIKey of (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile?
The InChIKey is XKFNESKFZGKRQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-16-6-2-3-10(16)8(7-13)9-4-5-11(12)15-14-9/h2-6,8H,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile?
(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile is sourced from PubChem (CID 6934194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).