(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C14H18ClNO2 — CID 11437090

IUPAC(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCc2cccnc2Cl)C1(C)C
InChIInChI=1S/C14H18ClNO2/c1-13(2)10(14(13,3)4)12(17)18-8-9-6-5-7-16-11(9)15/h5-7,10H,8H2,1-4H3
InChIKeyNAJKGDLHYQUORA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.46
Rot. Bonds3

About (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 11437090) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID11437090
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCc2cccnc2Cl)C1(C)C
InChIInChI=1S/C14H18ClNO2/c1-13(2)10(14(13,3)4)12(17)18-8-9-6-5-7-16-11(9)15/h5-7,10H,8H2,1-4H3
InChIKeyNAJKGDLHYQUORA-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-pyridinyl)ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11174286
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11161308
3-(2-chloro-3-pyridinyl)propyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11279945
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
(2-chloro-3-pyridinyl)methyl 3-(5-methylfuran-2-yl)prop-2-enoate
CID 72686983
[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151373577
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
methyl 2-[(2-chloro-3-pyridinyl)methylsulfanyl]acetate
CID 62464482
(2-chloro-3-pyridinyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 56528153
2-chloro-3-(nitrosomethyl)pyridine
CID 91182723
2-chloro-3-(4-methylpentoxymethyl)pyridine
CID 62471573

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 11437090) is (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1(C)C(C(=O)OCc2cccnc2Cl)C1(C)C.
What is the InChIKey of (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is NAJKGDLHYQUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-13(2)10(14(13,3)4)12(17)18-8-9-6-5-7-16-11(9)15/h5-7,10H,8H2,1-4H3.
What are the key properties of (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 267.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11437090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).