CID 59766715

C10H14BN2 — CID 59766715

IUPAC—
SMILESCc1ccc(N2CC[B]CC2)nc1
InChIInChI=1S/C10H14BN2/c1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyCVKPLLFPCCNKGR-UHFFFAOYSA-N
MW173.05 g/mol
LogP1.75
Rot. Bonds1

About CID 59766715

CID 59766715 (PubChem CID 59766715) has the molecular formula C10H14BN2 and a molecular weight of 173.05 g/mol.

Molecular Properties

Compound NameCID 59766715
PubChem CID59766715
Molecular FormulaC10H14BN2
Molecular Weight173.05 g/mol
Exact Mass173.13
IUPAC Name—
SMILESCc1ccc(N2CC[B]CC2)nc1
InChIInChI=1S/C10H14BN2/c1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyCVKPLLFPCCNKGR-UHFFFAOYSA-N
XLogP1.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 59676617
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576
ethane;1-(5-methyl-2-pyridinyl)-4-methylsulfonylpiperazine
CID 143863753
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
3,3-dimethyl-7-(5-methyl-2-pyridinyl)-7-azaspiro[3.5]nonane;ethane
CID 144539338
1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
CID 143774965
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 172630694
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
ethane;1-methyl-4-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]piperazine
CID 144607293
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
4-(4-tert-butylpiperazin-1-yl)-6-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171429593

Frequently Asked Questions

What is the IUPAC name of CID 59766715?
The IUPAC name of CID 59766715 (CID 59766715) is not available.
What is the SMILES notation for CID 59766715?
The canonical SMILES for CID 59766715 is Cc1ccc(N2CC[B]CC2)nc1.
What is the InChIKey of CID 59766715?
The InChIKey is CVKPLLFPCCNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BN2/c1-9-2-3-10(12-8-9)13-6-4-11-5-7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of CID 59766715?
CID 59766715 has a molecular weight of 173.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59766715 is sourced from PubChem (CID 59766715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).