CID 88885978

C16H11BF2N2O3 — CID 88885978

IUPAC—
SMILES[B]c1cc(F)c(Nc2c(C(=O)OCC)oc3ccncc23)cc1F
InChIInChI=1S/C16H11BF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3
InChIKeyOPYKLPCFLGJNNB-UHFFFAOYSA-N
MW328.08 g/mol
LogP2.82
Rot. Bonds4

About CID 88885978

CID 88885978 (PubChem CID 88885978) has the molecular formula C16H11BF2N2O3 and a molecular weight of 328.08 g/mol.

Molecular Properties

Compound NameCID 88885978
PubChem CID88885978
Molecular FormulaC16H11BF2N2O3
Molecular Weight328.08 g/mol
Exact Mass328.08
IUPAC Name—
SMILES[B]c1cc(F)c(Nc2c(C(=O)OCC)oc3ccncc23)cc1F
InChIInChI=1S/C16H11BF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3
InChIKeyOPYKLPCFLGJNNB-UHFFFAOYSA-N
XLogP2.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
CID 88886020
CID 88886020
ethyl 3-(naphthalen-1-ylamino)furo[2,3-c]pyridine-2-carboxylate
CID 58826947
ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
CID 143636039
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595

Frequently Asked Questions

What is the IUPAC name of CID 88885978?
The IUPAC name of CID 88885978 (CID 88885978) is not available.
What is the SMILES notation for CID 88885978?
The canonical SMILES for CID 88885978 is [B]c1cc(F)c(Nc2c(C(=O)OCC)oc3ccncc23)cc1F.
What is the InChIKey of CID 88885978?
The InChIKey is OPYKLPCFLGJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BF2N2O3/c1-2-23-16(22)15-14(8-7-20-4-3-13(8)24-15)21-12-6-10(18)9(17)5-11(12)19/h3-7,21H,2H2,1H3.
What are the key properties of CID 88885978?
CID 88885978 has a molecular weight of 328.08 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88885978 is sourced from PubChem (CID 88885978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).