4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine

C10H6Cl2FN3 — CID 80550393

IUPAC4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(Cc2cccnc2)nc1Cl
InChIInChI=1S/C10H6Cl2FN3/c11-9-8(13)10(12)16-7(15-9)4-6-2-1-3-14-5-6/h1-3,5H,4H2
InChIKeyYRZPLXAZFIRIJZ-UHFFFAOYSA-N
MW258.08 g/mol
LogP2.91
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine (PubChem CID 80550393) has the molecular formula C10H6Cl2FN3 and a molecular weight of 258.08 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
PubChem CID80550393
Molecular FormulaC10H6Cl2FN3
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC Name4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
SMILESFc1c(Cl)nc(Cc2cccnc2)nc1Cl
InChIInChI=1S/C10H6Cl2FN3/c11-9-8(13)10(12)16-7(15-9)4-6-2-1-3-14-5-6/h1-3,5H,4H2
InChIKeyYRZPLXAZFIRIJZ-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
CID 80550415
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
2,3,5-trichloro-6-(pyridin-3-ylmethyl)pyridine
CID 102752752
2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737125
3-chloro-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63724127
2-chloro-4-piperidin-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737099
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
5-(2-chloroethyl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 62551885
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine (CID 80550393) is 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine is Fc1c(Cl)nc(Cc2cccnc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine?
The InChIKey is YRZPLXAZFIRIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3/c11-9-8(13)10(12)16-7(15-9)4-6-2-1-3-14-5-6/h1-3,5H,4H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine has a molecular weight of 258.08 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine is sourced from PubChem (CID 80550393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).