2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine

C8H4Cl2FN3 — CID 167120223

IUPAC2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3
InChIKeyCSOBVMPEQQRLFO-UHFFFAOYSA-N
MW232.04 g/mol
LogP2.78
Rot. Bonds

About 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine

2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine (PubChem CID 167120223) has the molecular formula C8H4Cl2FN3 and a molecular weight of 232.04 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
PubChem CID167120223
Molecular FormulaC8H4Cl2FN3
Molecular Weight232.04 g/mol
Exact Mass230.98
IUPAC Name2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3
InChIKeyCSOBVMPEQQRLFO-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.04
LogP ≤ 52.78
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

(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 164534628
2,7-dichloro-4-[(1R,5S)-8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl]-8-fluoropyrido[4,3-d]pyrimidine
CID 169228117
1,6-dichloro-5-fluoro-3-methyl-2,7-naphthyridine
CID 172607213
2,7-dichloro-4-[3,5-dimethyl-4-(2-methyl-2-bicyclo[1.1.0]butanyl)piperazin-1-yl]-8-fluoropyrido[4,3-d]pyrimidine
CID 156645727
4-[(1R,5S)-1-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 175943159
tert-butyl (3aS,6aR)-2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 168957588
[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 171783328
(3S,4R)-3-[(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-methylamino]-4-fluoropyrrolidine-1-carboxylic acid
CID 170439066
tert-butyl 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 166069195
(7S,8S)-8-chloro-2-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-5-oxa-2-azabicyclo[5.1.0]octane
CID 176776221
4-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139873
1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-N-(2,2-dimethylpropyl)-5,5-difluoropiperidin-3-amine
CID 174143355

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine (CID 167120223) is 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine is Cc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
The InChIKey is CSOBVMPEQQRLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3/c1-3-4-2-12-7(9)5(11)6(4)14-8(10)13-3/h2H,1H3.
What are the key properties of 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine has a molecular weight of 232.04 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-fluoro-4-methylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167120223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).