CID 157180106

C14H10BN4 — CID 157180106

IUPAC—
SMILESC[B]c1nc2cnccc2n2c1nc1ccccc12
InChIInChI=1S/C14H10BN4/c1-15-13-14-18-9-4-2-3-5-11(9)19(14)12-6-7-16-8-10(12)17-13/h2-8H,1H3
InChIKeySLMRIFXKEVKBKX-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.81
Rot. Bonds1

About CID 157180106

CID 157180106 (PubChem CID 157180106) has the molecular formula C14H10BN4 and a molecular weight of 245.07 g/mol.

Molecular Properties

Compound NameCID 157180106
PubChem CID157180106
Molecular FormulaC14H10BN4
Molecular Weight245.07 g/mol
Exact Mass245.10
IUPAC Name—
SMILESC[B]c1nc2cnccc2n2c1nc1ccccc12
InChIInChI=1S/C14H10BN4/c1-15-13-14-18-9-4-2-3-5-11(9)19(14)12-6-7-16-8-10(12)17-13/h2-8H,1H3
InChIKeySLMRIFXKEVKBKX-UHFFFAOYSA-N
XLogP1.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
CID 161278223
CID 161278223
10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-ol
CID 135379666
4-(10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-4-yloxy)-10,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140949823
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol
CID 163724357
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
CID 135351660
20-phenyl-2,9,13,20-tetrazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.021,26]octacosa-1(17),3,5,7,9,11(16),12,14,18,21,23,25,27-tridecaene
CID 163695553
26-phenyl-2,9,14,26-tetrazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163472926
26-thia-2,9,14-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163503873
13,17-diphenyl-13,17,24,27,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
CID 161441197
14,17-diphenyl-14,17,23,27,31,34-hexazanonacyclo[18.15.0.03,18.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7(15),8,10,12,18,21(26),22,24,28(33),29,31,34-hexadecaene
CID 158449398

Frequently Asked Questions

What is the IUPAC name of CID 157180106?
The IUPAC name of CID 157180106 (CID 157180106) is not available.
What is the SMILES notation for CID 157180106?
The canonical SMILES for CID 157180106 is C[B]c1nc2cnccc2n2c1nc1ccccc12.
What is the InChIKey of CID 157180106?
The InChIKey is SLMRIFXKEVKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BN4/c1-15-13-14-18-9-4-2-3-5-11(9)19(14)12-6-7-16-8-10(12)17-13/h2-8H,1H3.
What are the key properties of CID 157180106?
CID 157180106 has a molecular weight of 245.07 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157180106 is sourced from PubChem (CID 157180106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).