1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane

C9H16BrN2O2P — CID 145271542

IUPAC1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane
SMILESCC.CC(Nc1cc(Br)ccn1)P(O)O
InChIInChI=1S/C7H10BrN2O2P.C2H6/c1-5(13(11)12)10-7-4-6(8)2-3-9-7;1-2/h2-5,11-12H,1H3,(H,9,10);1-2H3
InChIKeyWUEIZCKOMXXIMR-UHFFFAOYSA-N
MW295.12 g/mol
LogP2.92
Rot. Bonds3

About 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane

1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane (PubChem CID 145271542) has the molecular formula C9H16BrN2O2P and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane.

Molecular Properties

Compound Name1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane
PubChem CID145271542
Molecular FormulaC9H16BrN2O2P
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane
SMILESCC.CC(Nc1cc(Br)ccn1)P(O)O
InChIInChI=1S/C7H10BrN2O2P.C2H6/c1-5(13(11)12)10-7-4-6(8)2-3-9-7;1-2/h2-5,11-12H,1H3,(H,9,10);1-2H3
InChIKeyWUEIZCKOMXXIMR-UHFFFAOYSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
2-bromo-N-(4-bromo-2-pyridinyl)-3-methylbutanamide
CID 130631426
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
1-[(4-bromo-2-pyridinyl)amino]-3-phenylurea
CID 170994303
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane?
The IUPAC name of 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane (CID 145271542) is 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane.
What is the SMILES notation for 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane?
The canonical SMILES for 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane is CC.CC(Nc1cc(Br)ccn1)P(O)O.
What is the InChIKey of 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane?
The InChIKey is WUEIZCKOMXXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN2O2P.C2H6/c1-5(13(11)12)10-7-4-6(8)2-3-9-7;1-2/h2-5,11-12H,1H3,(H,9,10);1-2H3.
What are the key properties of 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane?
1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane has a molecular weight of 295.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane is sourced from PubChem (CID 145271542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).