boric acid;pyridin-3-ylurea

C6H10BN3O4 — CID 175497836

IUPACboric acid;pyridin-3-ylurea
SMILESNC(=O)Nc1cccnc1.OB(O)O
InChIInChI=1S/C6H7N3O.BH3O3/c7-6(10)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);2-4H
InChIKeyHMNMZPDNDGCBQI-UHFFFAOYSA-N
MW198.98 g/mol
LogP-1.48
Rot. Bonds1

About boric acid;pyridin-3-ylurea

boric acid;pyridin-3-ylurea (PubChem CID 175497836) has the molecular formula C6H10BN3O4 and a molecular weight of 198.98 g/mol. Its IUPAC name is boric acid;pyridin-3-ylurea.

Molecular Properties

Compound Nameboric acid;pyridin-3-ylurea
PubChem CID175497836
Molecular FormulaC6H10BN3O4
Molecular Weight198.98 g/mol
Exact Mass199.08
IUPAC Nameboric acid;pyridin-3-ylurea
SMILESNC(=O)Nc1cccnc1.OB(O)O
InChIInChI=1S/C6H7N3O.BH3O3/c7-6(10)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);2-4H
InChIKeyHMNMZPDNDGCBQI-UHFFFAOYSA-N
XLogP-1.48
TPSA128.70 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.98
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599
pyridin-3-ylthiourea
CID 2760515
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-pyridin-3-ylprop-2-ynamide
CID 130904210
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930

Frequently Asked Questions

What is the IUPAC name of boric acid;pyridin-3-ylurea?
The IUPAC name of boric acid;pyridin-3-ylurea (CID 175497836) is boric acid;pyridin-3-ylurea.
What is the SMILES notation for boric acid;pyridin-3-ylurea?
The canonical SMILES for boric acid;pyridin-3-ylurea is NC(=O)Nc1cccnc1.OB(O)O.
What is the InChIKey of boric acid;pyridin-3-ylurea?
The InChIKey is HMNMZPDNDGCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.BH3O3/c7-6(10)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);2-4H.
What are the key properties of boric acid;pyridin-3-ylurea?
boric acid;pyridin-3-ylurea has a molecular weight of 198.98 g/mol, XLogP of -1.48, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;pyridin-3-ylurea is sourced from PubChem (CID 175497836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).