4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane

C9H13ClN3P — CID 142854318

IUPAC4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane
SMILESCC.Nc1cnc2c(ccn2P)c1Cl
InChIInChI=1S/C7H7ClN3P.C2H6/c8-6-4-1-2-11(12)7(4)10-3-5(6)9;1-2/h1-3H,9,12H2;1-2H3
InChIKeyBUHWEYNPLXVXNP-UHFFFAOYSA-N
MW229.65 g/mol
LogP2.94
Rot. Bonds

About 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane

4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane (PubChem CID 142854318) has the molecular formula C9H13ClN3P and a molecular weight of 229.65 g/mol. Its IUPAC name is 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane.

Molecular Properties

Compound Name4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane
PubChem CID142854318
Molecular FormulaC9H13ClN3P
Molecular Weight229.65 g/mol
Exact Mass229.05
IUPAC Name4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane
SMILESCC.Nc1cnc2c(ccn2P)c1Cl
InChIInChI=1S/C7H7ClN3P.C2H6/c8-6-4-1-2-11(12)7(4)10-3-5(6)9;1-2/h1-3H,9,12H2;1-2H3
InChIKeyBUHWEYNPLXVXNP-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane?
The IUPAC name of 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane (CID 142854318) is 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane.
What is the SMILES notation for 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane?
The canonical SMILES for 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane is CC.Nc1cnc2c(ccn2P)c1Cl.
What is the InChIKey of 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane?
The InChIKey is BUHWEYNPLXVXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN3P.C2H6/c8-6-4-1-2-11(12)7(4)10-3-5(6)9;1-2/h1-3H,9,12H2;1-2H3.
What are the key properties of 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane?
4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane has a molecular weight of 229.65 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phosphanylpyrrolo[2,3-b]pyridin-5-amine;ethane is sourced from PubChem (CID 142854318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).