CID 67883209

C14H6BF2N2O3S — CID 67883209

IUPAC—
SMILESC/N=c1/c2c(F)c(F)cc3c(=O)c([B]C(=O)O)c4scc1n4c32
InChIInChI=1S/C14H6BF2N2O3S/c1-18-10-6-3-23-13-8(15-14(21)22)12(20)4-2-5(16)9(17)7(10)11(4)19(6)13/h2-3H,1H3,(H,21,22)/b18-10+
InChIKeySUYPQLZVCYDSEX-VCHYOVAHSA-N
MW331.09 g/mol
LogP1.36
Rot. Bonds2

About CID 67883209

CID 67883209 (PubChem CID 67883209) has the molecular formula C14H6BF2N2O3S and a molecular weight of 331.09 g/mol.

Molecular Properties

Compound NameCID 67883209
PubChem CID67883209
Molecular FormulaC14H6BF2N2O3S
Molecular Weight331.09 g/mol
Exact Mass331.02
IUPAC Name—
SMILESC/N=c1/c2c(F)c(F)cc3c(=O)c([B]C(=O)O)c4scc1n4c32
InChIInChI=1S/C14H6BF2N2O3S/c1-18-10-6-3-23-13-8(15-14(21)22)12(20)4-2-5(16)9(17)7(10)11(4)19(6)13/h2-3H,1H3,(H,21,22)/b18-10+
InChIKeySUYPQLZVCYDSEX-VCHYOVAHSA-N
XLogP1.36
TPSA71.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 51.36
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 9,10-difluoro-14-methylimino-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaene-5-carboxylate
CID 19777242
(14-cyclopropylimino-9,10-difluoro-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaen-5-yl) hydrogen carbonate
CID 67799967
9-fluoro-14-methylimino-10-(2-methylmorpholin-4-yl)-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaene-5-carboxylic acid;hydrochloride
CID 67883345
9-fluoro-10-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-14-methylimino-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaene-5-carboxylic acid
CID 57240547
10-(1-amino-4-azatricyclo[5.2.1.02,6]decan-4-yl)-9-fluoro-14-methylimino-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaene-5-carboxylic acid
CID 54376482
[10-(1-amino-7-methyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-9-fluoro-14-methylimino-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaen-5-yl] hydrogen carbonate
CID 70283683
[10-[1-(aminomethyl)-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-9-fluoro-14-methylimino-6-oxo-3-thia-13-azatetracyclo[9.2.1.04,13.07,12]tetradeca-1,4,7,9,11-pentaen-5-yl] hydrogen carbonate
CID 70280784
(7,8-difluoro-1-methyl-5-oxo-[1,3]thiazolo[3,2-a]quinolin-4-yl) hydrogen carbonate
CID 70284934
5,6-difluoro-10-methyl-3-oxa-12-thia-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4(15),5,7,10-pentaen-9-one
CID 169152935
1,2-diethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 23043249
1-[1-(acetyloxymethyl)-4-ethoxycarbonyl-7,9-difluoro-5-oxo-[1,3]thiazolo[3,2-a]quinolin-8-yl]cyclopropane-1-carboxylic acid
CID 15670799
(2S)-5,6-difluoro-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid
CID 10491907

Frequently Asked Questions

What is the IUPAC name of CID 67883209?
The IUPAC name of CID 67883209 (CID 67883209) is not available.
What is the SMILES notation for CID 67883209?
The canonical SMILES for CID 67883209 is C/N=c1/c2c(F)c(F)cc3c(=O)c([B]C(=O)O)c4scc1n4c32.
What is the InChIKey of CID 67883209?
The InChIKey is SUYPQLZVCYDSEX-VCHYOVAHSA-N. The full InChI is InChI=1S/C14H6BF2N2O3S/c1-18-10-6-3-23-13-8(15-14(21)22)12(20)4-2-5(16)9(17)7(10)11(4)19(6)13/h2-3H,1H3,(H,21,22)/b18-10+.
What are the key properties of CID 67883209?
CID 67883209 has a molecular weight of 331.09 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67883209 is sourced from PubChem (CID 67883209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).