4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine

C10H7ClFN3 — CID 104739149

IUPAC4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccncc2F)n1
InChIInChI=1S/C10H7ClFN3/c1-6-14-9(4-10(11)15-6)7-2-3-13-5-8(7)12/h2-5H,1H3
InChIKeyMJJSNQXDLJWPNK-UHFFFAOYSA-N
MW223.64 g/mol
LogP2.64
Rot. Bonds1

About 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine

4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine (PubChem CID 104739149) has the molecular formula C10H7ClFN3 and a molecular weight of 223.64 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine
PubChem CID104739149
Molecular FormulaC10H7ClFN3
Molecular Weight223.64 g/mol
Exact Mass223.03
IUPAC Name4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccncc2F)n1
InChIInChI=1S/C10H7ClFN3/c1-6-14-9(4-10(11)15-6)7-2-3-13-5-8(7)12/h2-5H,1H3
InChIKeyMJJSNQXDLJWPNK-UHFFFAOYSA-N
XLogP2.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine (CID 104739149) is 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine is Cc1nc(Cl)cc(-c2ccncc2F)n1.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine?
The InChIKey is MJJSNQXDLJWPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3/c1-6-14-9(4-10(11)15-6)7-2-3-13-5-8(7)12/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine?
4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine has a molecular weight of 223.64 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine is sourced from PubChem (CID 104739149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).