3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine

C16H12ClNO — CID 11680597

IUPAC3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
InChIInChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
InChIKeyKRLGQBXIHBDUPS-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.56
Rot. Bonds2

About 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine

3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine (PubChem CID 11680597) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine
PubChem CID11680597
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
InChIInChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
InChIKeyKRLGQBXIHBDUPS-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine (CID 11680597) is 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine is COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1.
What is the InChIKey of 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine?
The InChIKey is KRLGQBXIHBDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3.
What are the key properties of 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine?
3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine has a molecular weight of 269.73 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-7-methoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 11680597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).