4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine

C8H5ClFN3 — CID 135394745

IUPAC4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cncc(F)c2n1
InChIInChI=1S/C8H5ClFN3/c1-4-12-7-5(8(9)13-4)2-11-3-6(7)10/h2-3H,1H3
InChIKeyTZBQBTPQPPEUQX-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.13
Rot. Bonds

About 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine

4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine (PubChem CID 135394745) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
PubChem CID135394745
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)c2cncc(F)c2n1
InChIInChI=1S/C8H5ClFN3/c1-4-12-7-5(8(9)13-4)2-11-3-6(7)10/h2-3H,1H3
InChIKeyTZBQBTPQPPEUQX-UHFFFAOYSA-N
XLogP2.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-(pyridin-2-yl)quinazoline
CID 930716
4-Chloro-6-methyl-2-(pyridin-4-yl)pyrimidine
CID 12764705
4-Chloropyrido[2,3-d]pyrimidine
CID 569039
5-Chloro-8-(2-phenylethynyl)pyrido[4,3-d]pyrimidine
CID 44246370
4-Chloro-2-(pyridin-4-yl)quinazoline
CID 4736849
4-Chloropyrido(3,4-d)pyrimidine
CID 12271634
2,4-Dichloro-pyrido[2,3-d]pyrimidine
CID 22222228
2,4,7-Trichloro-8-fluoropyrido(4,3-d)pyrimidine
CID 154644243
4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine
CID 1485989
4-Chloro-2-(pyridin-3-yl)quinazoline
CID 743764
4-Chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 1485990
4,6-Dichloropyrido[3,4-d]pyrimidine
CID 10821876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine (CID 135394745) is 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)c2cncc(F)c2n1.
What is the InChIKey of 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
The InChIKey is TZBQBTPQPPEUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3/c1-4-12-7-5(8(9)13-4)2-11-3-6(7)10/h2-3H,1H3.
What are the key properties of 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine?
4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine has a molecular weight of 197.60 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 135394745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).