methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate

C11H10ClFN2O2 — CID 152639429

IUPACmethyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1c[nH]c2c(C)cc(Cl)nc12
InChIInChI=1S/C11H10ClFN2O2/c1-5-3-7(12)15-10-6(4-14-9(5)10)8(13)11(16)17-2/h3-4,8,14H,1-2H3
InChIKeyZFFTVGUDEPPRHL-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.71
Rot. Bonds2

About methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate

methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate (PubChem CID 152639429) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate
PubChem CID152639429
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Namemethyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate
SMILESCOC(=O)C(F)c1c[nH]c2c(C)cc(Cl)nc12
InChIInChI=1S/C11H10ClFN2O2/c1-5-3-7(12)15-10-6(4-14-9(5)10)8(13)11(16)17-2/h3-4,8,14H,1-2H3
InChIKeyZFFTVGUDEPPRHL-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 130062824
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
methyl (2S)-2-[(4-carbamoyl-6-chloropyrimidin-2-yl)amino]propanoate
CID 89422566
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 71908396
(2R)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methoxypropanamide
CID 97073917
methyl N-[6-chloro-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 132579425
methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130090555
methyl 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80953741
(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
CID 73013641
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate?
The IUPAC name of methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate (CID 152639429) is methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate.
What is the SMILES notation for methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate?
The canonical SMILES for methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate is COC(=O)C(F)c1c[nH]c2c(C)cc(Cl)nc12.
What is the InChIKey of methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate?
The InChIKey is ZFFTVGUDEPPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-5-3-7(12)15-10-6(4-14-9(5)10)8(13)11(16)17-2/h3-4,8,14H,1-2H3.
What are the key properties of methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate?
methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate has a molecular weight of 256.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate is sourced from PubChem (CID 152639429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).