5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine

C11H8IN3 — CID 170081634

IUPAC5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine
SMILESIN1c2ccncc2Cc2cnccc21
InChIInChI=1S/C11H8IN3/c12-15-10-1-3-13-6-8(10)5-9-7-14-4-2-11(9)15/h1-4,6-7H,5H2
InChIKeyPZFFANGYLVECRJ-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.87
Rot. Bonds

About 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine

5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine (PubChem CID 170081634) has the molecular formula C11H8IN3 and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine
PubChem CID170081634
Molecular FormulaC11H8IN3
Molecular Weight309.11 g/mol
Exact Mass308.98
IUPAC Name5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine
SMILESIN1c2ccncc2Cc2cnccc21
InChIInChI=1S/C11H8IN3/c12-15-10-1-3-13-6-8(10)5-9-7-14-4-2-11(9)15/h1-4,6-7H,5H2
InChIKeyPZFFANGYLVECRJ-UHFFFAOYSA-N
XLogP2.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine
CID 59344179
9H-indeno[2,1-c]pyridine
CID 597466
1-methyl-3,4-dihydro-2H-1,6-naphthyridine
CID 45079501
1,24-diazaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16(28),17,19,22(27),23,25-dodecaene
CID 167537203
1,18,24-triazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16,18,20(28),22(27),23,25-dodecaene
CID 167534329
6H-cyclopropa[g]isoquinoline
CID 142805400
5,10-dihydrobenzo[b][1,6]naphthyridine;ethane
CID 90710187
1,24-diazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
CID 167533926
3-fluoro-4-(3-iodopyrazol-1-yl)pyridine
CID 90319309
27,31-diazanonacyclo[17.15.1.02,17.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7,9,11,14,18,21,23,25,28(33),29,31-pentadecaene
CID 167612760
1,3-dihydropyrrolo[3,4-c]pyridin-2-amine
CID 89418615
ethane;1-methyl-2,3-dihydroimidazo[4,5-c]pyridine
CID 143245746

Frequently Asked Questions

What is the IUPAC name of 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine (CID 170081634) is 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine is IN1c2ccncc2Cc2cnccc21.
What is the InChIKey of 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine?
The InChIKey is PZFFANGYLVECRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3/c12-15-10-1-3-13-6-8(10)5-9-7-14-4-2-11(9)15/h1-4,6-7H,5H2.
What are the key properties of 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine?
5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine has a molecular weight of 309.11 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-10H-pyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 170081634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).