2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine

C10H8ClFN2 — CID 147316528

IUPAC2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C=C(Cl)N=C2C(C)=CC(F)=CN12
InChIInChI=1S/C10H8ClFN2/c1-6-3-8(12)5-14-7(2)4-9(11)13-10(6)14/h3-5H,2H2,1H3
InChIKeyCYYZESMGEYNEBC-UHFFFAOYSA-N
MW210.64 g/mol
LogP3.07
Rot. Bonds

About 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine

2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine (PubChem CID 147316528) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine
PubChem CID147316528
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine
SMILESC=C1C=C(Cl)N=C2C(C)=CC(F)=CN12
InChIInChI=1S/C10H8ClFN2/c1-6-3-8(12)5-14-7(2)4-9(11)13-10(6)14/h3-5H,2H2,1H3
InChIKeyCYYZESMGEYNEBC-UHFFFAOYSA-N
XLogP3.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
1-[(6-chloro-1-methyl-2H-pyridin-3-yl)methyl]-N-(3,3,3-trifluoroprop-1-en-2-yl)pyridin-2-imine
CID 146384610
7-Fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidin-2-ol
CID 149016957
N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
CID 156651628
9-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183229
9-methyl-4H-pyrido[1,2-a]pyrimidine;hydrochloride
CID 173405474
2,3-dimethyl-4H-pyrido[1,2-a]pyrimidine
CID 144220401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The IUPAC name of 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine (CID 147316528) is 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine is C=C1C=C(Cl)N=C2C(C)=CC(F)=CN12.
What is the InChIKey of 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
The InChIKey is CYYZESMGEYNEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-6-3-8(12)5-14-7(2)4-9(11)13-10(6)14/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine?
2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine has a molecular weight of 210.64 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-9-methyl-4-methylidenepyrido[1,2-a]pyrimidine is sourced from PubChem (CID 147316528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).