2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine

C16H12ClN3 — CID 10684254

IUPAC2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C16H12ClN3/c1-11-8-9-18-16(19-11)15-7-3-6-14(20-15)12-4-2-5-13(17)10-12/h2-10H,1H3
InChIKeyYAOMWHIPNVUCND-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.17
Rot. Bonds2

About 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine

2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine (PubChem CID 10684254) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
PubChem CID10684254
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(-c3cccc(Cl)c3)n2)n1
InChIInChI=1S/C16H12ClN3/c1-11-8-9-18-16(19-11)15-7-3-6-14(20-15)12-4-2-5-13(17)10-12/h2-10H,1H3
InChIKeyYAOMWHIPNVUCND-UHFFFAOYSA-N
XLogP4.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine (CID 10684254) is 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine is Cc1ccnc(-c2cccc(-c3cccc(Cl)c3)n2)n1.
What is the InChIKey of 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is YAOMWHIPNVUCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-11-8-9-18-16(19-11)15-7-3-6-14(20-15)12-4-2-5-13(17)10-12/h2-10H,1H3.
What are the key properties of 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine?
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 281.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 10684254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).