6-chloro-2-methylpyrimidine-4-carbonitrile

C6H4ClN3 — CID 58128497

IUPAC6-chloro-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(Cl)cc(C#N)n1
InChIInChI=1S/C6H4ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3
InChIKeyQKZFSEQCFIUHFN-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.31
Rot. Bonds

About 6-chloro-2-methylpyrimidine-4-carbonitrile

6-chloro-2-methylpyrimidine-4-carbonitrile (PubChem CID 58128497) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 6-chloro-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-methylpyrimidine-4-carbonitrile
PubChem CID58128497
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name6-chloro-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(Cl)cc(C#N)n1
InChIInChI=1S/C6H4ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3
InChIKeyQKZFSEQCFIUHFN-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-chloro-2-methylpyrimidine-4-carbonitrile (CID 58128497) is 6-chloro-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-chloro-2-methylpyrimidine-4-carbonitrile is Cc1nc(Cl)cc(C#N)n1.
What is the InChIKey of 6-chloro-2-methylpyrimidine-4-carbonitrile?
The InChIKey is QKZFSEQCFIUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3.
What are the key properties of 6-chloro-2-methylpyrimidine-4-carbonitrile?
6-chloro-2-methylpyrimidine-4-carbonitrile has a molecular weight of 153.57 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 58128497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).