[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid

C6H10N2O6P2 — CID 13323581

IUPAC[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ccncc1)P(=O)(O)O
InChIInChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-1-3-7-4-2-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyHBGRETPFBONMPF-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.13
Rot. Bonds4

About [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid

[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid (PubChem CID 13323581) has the molecular formula C6H10N2O6P2 and a molecular weight of 268.10 g/mol. Its IUPAC name is [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid.

Molecular Properties

Compound Name[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid
PubChem CID13323581
Molecular FormulaC6H10N2O6P2
Molecular Weight268.10 g/mol
Exact Mass268.00
IUPAC Name[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ccncc1)P(=O)(O)O
InChIInChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-1-3-7-4-2-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyHBGRETPFBONMPF-UHFFFAOYSA-N
XLogP0.13
TPSA139.98 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[phosphono-(1H-pyrazol-5-ylamino)methyl]phosphonic acid
CID 19992057
[[[5-(diphosphonomethylamino)naphthalen-1-yl]amino]-phosphonomethyl]phosphonic acid
CID 71528946
(3S)-3-(pyridin-4-ylamino)butanoic acid;dihydrochloride
CID 71432875
6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-yl-1,3,5-triazine-2,4-dicarboxamide
CID 144765721
[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid
CID 54669881
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
(2S)-4-methoxy-4-oxo-2-(pyridin-4-ylamino)butanoic acid
CID 119091878
(2S)-2-hydroxy-N-pyridin-4-ylpropanamide
CID 130695584
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
6-[hydroxy-(pyridin-4-ylamino)methyl]-2-N,4-N-dipyridin-4-ylpyrimidine-2,4-dicarboxamide
CID 144765608
N-(6-methylheptan-2-yl)pyridin-4-amine
CID 61472376

Frequently Asked Questions

What is the IUPAC name of [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid?
The IUPAC name of [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid (CID 13323581) is [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid.
What is the SMILES notation for [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid?
The canonical SMILES for [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid is O=P(O)(O)C(Nc1ccncc1)P(=O)(O)O.
What is the InChIKey of [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid?
The InChIKey is HBGRETPFBONMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-1-3-7-4-2-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14).
What are the key properties of [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid?
[phosphono-(pyridin-4-ylamino)methyl]phosphonic acid has a molecular weight of 268.10 g/mol, XLogP of 0.13, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphono-(pyridin-4-ylamino)methyl]phosphonic acid is sourced from PubChem (CID 13323581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).