2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene

C40H30Cl2N7O5P — CID 159629667

IUPAC2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene
SMILESCP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2cc(Cl)ccn2)nc2ccncc12.O=C(O)c1cc(-c2cc(Cl)ccn2)nc2ccncc12
InChIInChI=1S/C14H8ClN3O2.C13H9ClN4.C13H13O3P/c15-8-1-4-17-12(5-8)13-6-9(14(19)20)10-7-16-3-2-11(10)18-13;14-8-1-4-17-12(5-8)13-6-10(15)9-7-16-3-2-11(9)18-13;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-7H,(H,19,20);1-7H,(H2,15,18);2-11H,1H3
InChIKeyMOYMVJUQPBUBOA-UHFFFAOYSA-N
MW790.60 g/mol
LogP9.94
Rot. Bonds7

About 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene

2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene (PubChem CID 159629667) has the molecular formula C40H30Cl2N7O5P and a molecular weight of 790.60 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene
PubChem CID159629667
Molecular FormulaC40H30Cl2N7O5P
Molecular Weight790.60 g/mol
Exact Mass789.14
IUPAC Name2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene
SMILESCP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2cc(Cl)ccn2)nc2ccncc12.O=C(O)c1cc(-c2cc(Cl)ccn2)nc2ccncc12
InChIInChI=1S/C14H8ClN3O2.C13H9ClN4.C13H13O3P/c15-8-1-4-17-12(5-8)13-6-9(14(19)20)10-7-16-3-2-11(10)18-13;14-8-1-4-17-12(5-8)13-6-10(15)9-7-16-3-2-11(9)18-13;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-7H,(H,19,20);1-7H,(H2,15,18);2-11H,1H3
InChIKeyMOYMVJUQPBUBOA-UHFFFAOYSA-N
XLogP9.94
TPSA176.19 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.60
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene?
The IUPAC name of 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene (CID 159629667) is 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene is CP(=O)(Oc1ccccc1)Oc1ccccc1.Nc1cc(-c2cc(Cl)ccn2)nc2ccncc12.O=C(O)c1cc(-c2cc(Cl)ccn2)nc2ccncc12.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene?
The InChIKey is MOYMVJUQPBUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2.C13H9ClN4.C13H13O3P/c15-8-1-4-17-12(5-8)13-6-9(14(19)20)10-7-16-3-2-11(10)18-13;14-8-1-4-17-12(5-8)13-6-10(15)9-7-16-3-2-11(9)18-13;1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h1-7H,(H,19,20);1-7H,(H2,15,18);2-11H,1H3.
What are the key properties of 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene?
2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene has a molecular weight of 790.60 g/mol, XLogP of 9.94, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)-1,6-naphthyridin-4-amine;2-(4-chloro-2-pyridinyl)-1,6-naphthyridine-4-carboxylic acid;[methyl(phenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 159629667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).