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

C9H7ClFN3O2 — CID 169314991

IUPAC7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine
SMILESCOc1nc(OC)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C9H7ClFN3O2/c1-15-8-4-3-12-7(10)5(11)6(4)13-9(14-8)16-2/h3H,1-2H3
InChIKeyLFPOCEWYXLQFQM-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.83
Rot. Bonds2

About 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine

7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine (PubChem CID 169314991) has the molecular formula C9H7ClFN3O2 and a molecular weight of 243.62 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine
PubChem CID169314991
Molecular FormulaC9H7ClFN3O2
Molecular Weight243.62 g/mol
Exact Mass243.02
IUPAC Name7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine
SMILESCOc1nc(OC)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C9H7ClFN3O2/c1-15-8-4-3-12-7(10)5(11)6(4)13-9(14-8)16-2/h3H,1-2H3
InChIKeyLFPOCEWYXLQFQM-UHFFFAOYSA-N
XLogP1.83
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-8-fluoro-7-methoxyquinazoline
CID 118418842
4-(Benzyloxy)-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 156117446
2-Chloro-4-methoxypyrido[2,3-d]pyrimidine
CID 154723223
5-(2-Chloro-5-fluoro-pyridin-3-yl)-2,4-dimethoxy-pyrimidine
CID 58994239
2,4-Dichloro-6-fluoro-7-methoxypyrido[2,3-d]pyrimidine
CID 141311433
2,4,7-Trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 154644464
2,7-Dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-D]pyrimidine
CID 156117194
7-Chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117213
7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117215
7-Chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156645591
4-(2,2,2-Trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 156645676
7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 164534410

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine (CID 169314991) is 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine is COc1nc(OC)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine?
The InChIKey is LFPOCEWYXLQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3O2/c1-15-8-4-3-12-7(10)5(11)6(4)13-9(14-8)16-2/h3H,1-2H3.
What are the key properties of 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine?
7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine has a molecular weight of 243.62 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2,4-dimethoxypyrido[4,3-d]pyrimidine is sourced from PubChem (CID 169314991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).