CID 142605351

C10H9BN3O2 — CID 142605351

IUPAC—
SMILESO=C(O)c1cnc2c(c1)[B]C(N1CCC1)=N2
InChIInChI=1S/C10H9BN3O2/c15-9(16)6-4-7-8(12-5-6)13-10(11-7)14-2-1-3-14/h4-5H,1-3H2,(H,15,16)
InChIKeyWWLDVJVUIJUMSK-UHFFFAOYSA-N
MW214.01 g/mol
LogP-0.18
Rot. Bonds1

About CID 142605351

CID 142605351 (PubChem CID 142605351) has the molecular formula C10H9BN3O2 and a molecular weight of 214.01 g/mol.

Molecular Properties

Compound NameCID 142605351
PubChem CID142605351
Molecular FormulaC10H9BN3O2
Molecular Weight214.01 g/mol
Exact Mass214.08
IUPAC Name—
SMILESO=C(O)c1cnc2c(c1)[B]C(N1CCC1)=N2
InChIInChI=1S/C10H9BN3O2/c15-9(16)6-4-7-8(12-5-6)13-10(11-7)14-2-1-3-14/h4-5H,1-3H2,(H,15,16)
InChIKeyWWLDVJVUIJUMSK-UHFFFAOYSA-N
XLogP-0.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 142605326
CID 142605326
7-(azetidin-1-yl)-1,6-naphthyridine-3-carboxylic acid
CID 142496402
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
2-bromothieno[2,3-b]pyridine-5-carboxylic acid
CID 82665417
6-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 84664601
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
5-chloro-6-(1,4-thiazepan-4-yl)pyridine-3-carboxylic acid
CID 61419163
6-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 80502820
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
2-(difluoromethyl)thieno[2,3-b]pyridine-5-carboxylic acid
CID 84692457

Frequently Asked Questions

What is the IUPAC name of CID 142605351?
The IUPAC name of CID 142605351 (CID 142605351) is not available.
What is the SMILES notation for CID 142605351?
The canonical SMILES for CID 142605351 is O=C(O)c1cnc2c(c1)[B]C(N1CCC1)=N2.
What is the InChIKey of CID 142605351?
The InChIKey is WWLDVJVUIJUMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BN3O2/c15-9(16)6-4-7-8(12-5-6)13-10(11-7)14-2-1-3-14/h4-5H,1-3H2,(H,15,16).
What are the key properties of CID 142605351?
CID 142605351 has a molecular weight of 214.01 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142605351 is sourced from PubChem (CID 142605351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).