(4-chloronaphthalen-1-yl) pyridine-2-carboxylate

C16H10ClNO2 — CID 18075291

IUPAC(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c2ccccc12)c1ccccn1
InChIInChI=1S/C16H10ClNO2/c17-13-8-9-15(12-6-2-1-5-11(12)13)20-16(19)14-7-3-4-10-18-14/h1-10H
InChIKeyWKANYLZAWROMMX-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.11
Rot. Bonds2

About (4-chloronaphthalen-1-yl) pyridine-2-carboxylate

(4-chloronaphthalen-1-yl) pyridine-2-carboxylate (PubChem CID 18075291) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
PubChem CID18075291
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name(4-chloronaphthalen-1-yl) pyridine-2-carboxylate
SMILESO=C(Oc1ccc(Cl)c2ccccc12)c1ccccn1
InChIInChI=1S/C16H10ClNO2/c17-13-8-9-15(12-6-2-1-5-11(12)13)20-16(19)14-7-3-4-10-18-14/h1-10H
InChIKeyWKANYLZAWROMMX-UHFFFAOYSA-N
XLogP4.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichloro-5-methylphenyl) pyridine-2-carboxylate
CID 166584107
(2-bromophenyl) pyridine-2-carboxylate
CID 158339017
(4-chloronaphthalen-1-yl) 2-iodobenzoate
CID 7919991
(5-chloroquinolin-8-yl) thiadiazole-4-carboxylate
CID 13281667
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
2-[(4-chloronaphthalen-1-yl)oxymethyl]pyrimidine
CID 146440815
(4-chloronaphthalen-1-yl) 4-methylsulfonylbenzoate
CID 18081225
(5-chloroquinolin-8-yl) pyridin-1-ium-4-carboxylate
CID 4741373
2-(4-chloronaphthalen-1-yl)oxyacetate
CID 6995020
(4-chloronaphthalen-1-yl) 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7920028
[3-bromo-1-[3-bromo-2-(pyridine-2-carbonyloxy)naphthalen-1-yl]naphthalen-2-yl] pyridine-2-carboxylate
CID 101398891
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl) pyridine-2-carboxylate?
The IUPAC name of (4-chloronaphthalen-1-yl) pyridine-2-carboxylate (CID 18075291) is (4-chloronaphthalen-1-yl) pyridine-2-carboxylate.
What is the SMILES notation for (4-chloronaphthalen-1-yl) pyridine-2-carboxylate?
The canonical SMILES for (4-chloronaphthalen-1-yl) pyridine-2-carboxylate is O=C(Oc1ccc(Cl)c2ccccc12)c1ccccn1.
What is the InChIKey of (4-chloronaphthalen-1-yl) pyridine-2-carboxylate?
The InChIKey is WKANYLZAWROMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-13-8-9-15(12-6-2-1-5-11(12)13)20-16(19)14-7-3-4-10-18-14/h1-10H.
What are the key properties of (4-chloronaphthalen-1-yl) pyridine-2-carboxylate?
(4-chloronaphthalen-1-yl) pyridine-2-carboxylate has a molecular weight of 283.71 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl) pyridine-2-carboxylate is sourced from PubChem (CID 18075291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).