4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine

C19H15ClFN3 — CID 172608829

IUPAC4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
SMILESCc1cncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C19H15ClFN3/c1-11-9-22-10-23-19(11)16-8-14(21)4-5-15(16)13-6-17(12-2-3-12)24-18(20)7-13/h4-10,12H,2-3H2,1H3
InChIKeyNYKWOKUUHFJICV-UHFFFAOYSA-N
MW339.80 g/mol
LogP5.18
Rot. Bonds3

About 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine

4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine (PubChem CID 172608829) has the molecular formula C19H15ClFN3 and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
PubChem CID172608829
Molecular FormulaC19H15ClFN3
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine
SMILESCc1cncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1
InChIInChI=1S/C19H15ClFN3/c1-11-9-22-10-23-19(11)16-8-14(21)4-5-15(16)13-6-17(12-2-3-12)24-18(20)7-13/h4-10,12H,2-3H2,1H3
InChIKeyNYKWOKUUHFJICV-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-cyclopropyl-4-[4-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 172608605
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
2-(2-cyclopropyl-6-methyl-4-pyridinyl)-5-fluorobenzaldehyde;3-fluoroazetidine
CID 172580927
5-chloro-4-[3-cyclopropyl-5-(4-fluorophenyl)pyrazol-1-yl]pyrimidine
CID 167977507
5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine
CID 114205468
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-methoxypyridin-2-amine
CID 177368149
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
CID 63355073
2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
CID 79072654
4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
CID 63355441
5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine
CID 176719811

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine?
The IUPAC name of 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine (CID 172608829) is 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine.
What is the SMILES notation for 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine?
The canonical SMILES for 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine is Cc1cncnc1-c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)c1.
What is the InChIKey of 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine?
The InChIKey is NYKWOKUUHFJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3/c1-11-9-22-10-23-19(11)16-8-14(21)4-5-15(16)13-6-17(12-2-3-12)24-18(20)7-13/h4-10,12H,2-3H2,1H3.
What are the key properties of 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine?
4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine has a molecular weight of 339.80 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-cyclopropyl-4-pyridinyl)-5-fluorophenyl]-5-methylpyrimidine is sourced from PubChem (CID 172608829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).