4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile

C9H3ClIN3 — CID 102941564

IUPAC4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(I)cncc2c1Cl
InChIInChI=1S/C9H3ClIN3/c10-8-5(1-12)2-14-9-6(8)3-13-4-7(9)11/h2-4H
InChIKeyPBIKGGCWLQHHEQ-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.76
Rot. Bonds

About 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile

4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile (PubChem CID 102941564) has the molecular formula C9H3ClIN3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
PubChem CID102941564
Molecular FormulaC9H3ClIN3
Molecular Weight315.50 g/mol
Exact Mass314.91
IUPAC Name4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(I)cncc2c1Cl
InChIInChI=1S/C9H3ClIN3/c10-8-5(1-12)2-14-9-6(8)3-13-4-7(9)11/h2-4H
InChIKeyPBIKGGCWLQHHEQ-UHFFFAOYSA-N
XLogP2.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-dichloro-7-methoxyquinoline-3-carbonitrile
CID 12559432
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
CID 24689998
4-chloro-6,7-dihydroxyquinoline-3-carbonitrile
CID 135742179
5-amino-4-chloropyridine-3-carbonitrile
CID 99981294
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
4,8-dichloro-5-fluoroquinoline-3-carbonitrile
CID 107528767
7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
CID 71121560
8-chloro-4-hydrazinyl-6-iodoquinoline-3-carbonitrile
CID 107607945
4-chloro-6,7-diethoxyquinoline-3-carbonitrile
CID 10778872
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
5,6,8-trichloro-4-(ethylamino)quinoline-3-carbonitrile
CID 55045004
4-chloro-2-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile (CID 102941564) is 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile is N#Cc1cnc2c(I)cncc2c1Cl.
What is the InChIKey of 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile?
The InChIKey is PBIKGGCWLQHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClIN3/c10-8-5(1-12)2-14-9-6(8)3-13-4-7(9)11/h2-4H.
What are the key properties of 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile?
4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile has a molecular weight of 315.50 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-iodo-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 102941564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).