4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine

C16H10Cl2FN3 — CID 86668904

IUPAC4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
SMILESFc1ccccc1Cc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C16H10Cl2FN3/c17-14-11(9-10-5-1-2-6-12(10)19)15(18)22-16(21-14)13-7-3-4-8-20-13/h1-8H,9H2
InChIKeyFMFLWFCPOVNQPY-UHFFFAOYSA-N
MW334.18 g/mol
LogP4.58
Rot. Bonds3

About 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine

4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 86668904) has the molecular formula C16H10Cl2FN3 and a molecular weight of 334.18 g/mol. Its IUPAC name is 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
PubChem CID86668904
Molecular FormulaC16H10Cl2FN3
Molecular Weight334.18 g/mol
Exact Mass333.02
IUPAC Name4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
SMILESFc1ccccc1Cc1c(Cl)nc(-c2ccccn2)nc1Cl
InChIInChI=1S/C16H10Cl2FN3/c17-14-11(9-10-5-1-2-6-12(10)19)15(18)22-16(21-14)13-7-3-4-8-20-13/h1-8H,9H2
InChIKeyFMFLWFCPOVNQPY-UHFFFAOYSA-N
XLogP4.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 51042444
CID 139150015
CID 139150015
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 51042448
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
1-(2-fluorophenyl)-N-(5-pyridin-2-yl-2-pyridinyl)methanesulfonamide
CID 75522843
1-(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745820
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine (CID 86668904) is 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine is Fc1ccccc1Cc1c(Cl)nc(-c2ccccn2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is FMFLWFCPOVNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3/c17-14-11(9-10-5-1-2-6-12(10)19)15(18)22-16(21-14)13-7-3-4-8-20-13/h1-8H,9H2.
What are the key properties of 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine?
4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 334.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 86668904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).