CID 18343810

C9H11BCl2FN10 — CID 18343810

IUPAC—
SMILESCNc1nc(Cl)nc(N(C)[B]N(C)c2nc(Cl)nc(NF)n2)n1
InChIInChI=1S/C9H11BCl2FN10/c1-14-6-15-4(11)17-8(19-6)22(2)10-23(3)9-18-5(12)16-7(20-9)21-13/h1-3H3,(H,14,15,17,19)(H,16,18,20,21)
InChIKeyRCMXRMJCDHHWIK-UHFFFAOYSA-N
MW359.97 g/mol
LogP0.81
Rot. Bonds6

About CID 18343810

CID 18343810 (PubChem CID 18343810) has the molecular formula C9H11BCl2FN10 and a molecular weight of 359.97 g/mol.

Molecular Properties

Compound NameCID 18343810
PubChem CID18343810
Molecular FormulaC9H11BCl2FN10
Molecular Weight359.97 g/mol
Exact Mass359.06
IUPAC Name—
SMILESCNc1nc(Cl)nc(N(C)[B]N(C)c2nc(Cl)nc(NF)n2)n1
InChIInChI=1S/C9H11BCl2FN10/c1-14-6-15-4(11)17-8(19-6)22(2)10-23(3)9-18-5(12)16-7(20-9)21-13/h1-3H3,(H,14,15,17,19)(H,16,18,20,21)
InChIKeyRCMXRMJCDHHWIK-UHFFFAOYSA-N
XLogP0.81
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
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CID 80805489
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
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CID 80810701
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
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6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of CID 18343810?
The IUPAC name of CID 18343810 (CID 18343810) is not available.
What is the SMILES notation for CID 18343810?
The canonical SMILES for CID 18343810 is CNc1nc(Cl)nc(N(C)[B]N(C)c2nc(Cl)nc(NF)n2)n1.
What is the InChIKey of CID 18343810?
The InChIKey is RCMXRMJCDHHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BCl2FN10/c1-14-6-15-4(11)17-8(19-6)22(2)10-23(3)9-18-5(12)16-7(20-9)21-13/h1-3H3,(H,14,15,17,19)(H,16,18,20,21).
What are the key properties of CID 18343810?
CID 18343810 has a molecular weight of 359.97 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18343810 is sourced from PubChem (CID 18343810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).