(8-chloro-1,7-naphthyridin-3-yl)methyl formate

C10H7ClN2O2 — CID 175008159

IUPAC(8-chloro-1,7-naphthyridin-3-yl)methyl formate
SMILESO=COCc1cnc2c(Cl)nccc2c1
InChIInChI=1S/C10H7ClN2O2/c11-10-9-8(1-2-12-10)3-7(4-13-9)5-15-6-14/h1-4,6H,5H2
InChIKeyHZIKHVAWBSVDID-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.96
Rot. Bonds3

About (8-chloro-1,7-naphthyridin-3-yl)methyl formate

(8-chloro-1,7-naphthyridin-3-yl)methyl formate (PubChem CID 175008159) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is (8-chloro-1,7-naphthyridin-3-yl)methyl formate.

Molecular Properties

Compound Name(8-chloro-1,7-naphthyridin-3-yl)methyl formate
PubChem CID175008159
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name(8-chloro-1,7-naphthyridin-3-yl)methyl formate
SMILESO=COCc1cnc2c(Cl)nccc2c1
InChIInChI=1S/C10H7ClN2O2/c11-10-9-8(1-2-12-10)3-7(4-13-9)5-15-6-14/h1-4,6H,5H2
InChIKeyHZIKHVAWBSVDID-UHFFFAOYSA-N
XLogP1.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(8-chloro-1,7-naphthyridin-3-yl)ethyl formate
CID 175010496
isoquinolin-7-ylmethyl formate
CID 175541749
(2,6-dichloro-4-pyridinyl)methyl formate
CID 87852501
(2-amino-4-pyridinyl)methyl formate
CID 174909725
3-benzylsulfanyl-8-chloro-1,7-naphthyridine
CID 86687547
cinnolin-7-ylmethyl formate
CID 174648488
(2,4-dichloroquinolin-6-yl)methyl formate
CID 174805538
(4-chloro-3-pyridinyl)methyl formate
CID 174636187
methyl 2-[(8-chloro-2-methyl-1,7-naphthyridin-3-yl)methylamino]acetate
CID 175104405
2-(4-chloro-2-pyridinyl)ethyl formate
CID 174481007
(3-amino-5-chloropyrazin-2-yl)methyl formate
CID 174712769
benzyl formate;1H-pyrazole
CID 175258603

Frequently Asked Questions

What is the IUPAC name of (8-chloro-1,7-naphthyridin-3-yl)methyl formate?
The IUPAC name of (8-chloro-1,7-naphthyridin-3-yl)methyl formate (CID 175008159) is (8-chloro-1,7-naphthyridin-3-yl)methyl formate.
What is the SMILES notation for (8-chloro-1,7-naphthyridin-3-yl)methyl formate?
The canonical SMILES for (8-chloro-1,7-naphthyridin-3-yl)methyl formate is O=COCc1cnc2c(Cl)nccc2c1.
What is the InChIKey of (8-chloro-1,7-naphthyridin-3-yl)methyl formate?
The InChIKey is HZIKHVAWBSVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-10-9-8(1-2-12-10)3-7(4-13-9)5-15-6-14/h1-4,6H,5H2.
What are the key properties of (8-chloro-1,7-naphthyridin-3-yl)methyl formate?
(8-chloro-1,7-naphthyridin-3-yl)methyl formate has a molecular weight of 222.63 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-1,7-naphthyridin-3-yl)methyl formate is sourced from PubChem (CID 175008159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).