CID 89283980

C10H9BClN — CID 89283980

IUPAC—
SMILES[B]c1cnc(Cl)c(C(C)=C2CC2)c1
InChIInChI=1S/C10H9BClN/c1-6(7-2-3-7)9-4-8(11)5-13-10(9)12/h4-5H,2-3H2,1H3
InChIKeyKHONBIIGIZZEMC-UHFFFAOYSA-N
MW189.45 g/mol
LogP2.10
Rot. Bonds1

About CID 89283980

CID 89283980 (PubChem CID 89283980) has the molecular formula C10H9BClN and a molecular weight of 189.45 g/mol.

Molecular Properties

Compound NameCID 89283980
PubChem CID89283980
Molecular FormulaC10H9BClN
Molecular Weight189.45 g/mol
Exact Mass189.05
IUPAC Name—
SMILES[B]c1cnc(Cl)c(C(C)=C2CC2)c1
InChIInChI=1S/C10H9BClN/c1-6(7-2-3-7)9-4-8(11)5-13-10(9)12/h4-5H,2-3H2,1H3
InChIKeyKHONBIIGIZZEMC-UHFFFAOYSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylpyridine
CID 10823
3,5-Dimethylpyridine
CID 11565
3-Propylpyridine
CID 78405
2-Chloro-5-trichloromethylpyridine
CID 50293
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
2,3-Dichloro-5-(trichloromethyl)pyridine
CID 94647
4-Propylpyridine
CID 70738
2-Chloro-5-(1-methyl-2-pyrrolidinyl)pyridine
CID 10262111
2-Chloro-5-methyl-pyridine
CID 581393
2-Chloro-3-(trifluoromethyl)pyridine
CID 589833
2,3,5-Trimethylpyridine
CID 12759
3-Chloro-5-(1-methylpyrrolidin-2-yl)pyridine
CID 19421759

Frequently Asked Questions

What is the IUPAC name of CID 89283980?
The IUPAC name of CID 89283980 (CID 89283980) is not available.
What is the SMILES notation for CID 89283980?
The canonical SMILES for CID 89283980 is [B]c1cnc(Cl)c(C(C)=C2CC2)c1.
What is the InChIKey of CID 89283980?
The InChIKey is KHONBIIGIZZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BClN/c1-6(7-2-3-7)9-4-8(11)5-13-10(9)12/h4-5H,2-3H2,1H3.
What are the key properties of CID 89283980?
CID 89283980 has a molecular weight of 189.45 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89283980 is sourced from PubChem (CID 89283980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).