4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile

C12H10ClN3 — CID 166866012

IUPAC4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile
SMILESCCc1cc2c(Cl)c(C#N)c(C)nc2cn1
InChIInChI=1S/C12H10ClN3/c1-3-8-4-9-11(6-15-8)16-7(2)10(5-14)12(9)13/h4,6H,3H2,1-2H3
InChIKeyYOOGNZXJNPADDW-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile

4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile (PubChem CID 166866012) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile
PubChem CID166866012
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile
SMILESCCc1cc2c(Cl)c(C#N)c(C)nc2cn1
InChIInChI=1S/C12H10ClN3/c1-3-8-4-9-11(6-15-8)16-7(2)10(5-14)12(9)13/h4,6H,3H2,1-2H3
InChIKeyYOOGNZXJNPADDW-UHFFFAOYSA-N
XLogP3.03
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile (CID 166866012) is 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile is CCc1cc2c(Cl)c(C#N)c(C)nc2cn1.
What is the InChIKey of 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile?
The InChIKey is YOOGNZXJNPADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-3-8-4-9-11(6-15-8)16-7(2)10(5-14)12(9)13/h4,6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile?
4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile has a molecular weight of 231.69 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-methyl-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 166866012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).