methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane

C16H18ClNO2 — CID 170705123

IUPACmethyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
SMILESCCC.COC(=O)c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2.C3H8/c1-17-13(16)11-3-2-8-15-12(11)9-4-6-10(14)7-5-9;1-3-2/h2-8H,1H3;3H2,1-2H3
InChIKeyXUWOLVKAAJPEPR-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.60
Rot. Bonds2

About methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane

methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane (PubChem CID 170705123) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
PubChem CID170705123
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
SMILESCCC.COC(=O)c1cccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2.C3H8/c1-17-13(16)11-3-2-8-15-12(11)9-4-6-10(14)7-5-9;1-3-2/h2-8H,1H3;3H2,1-2H3
InChIKeyXUWOLVKAAJPEPR-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
methyl 2-chloro-5-(3-hydroxy-2-pyridinyl)benzoate
CID 53218200
2-(4-chlorophenyl)pyridine-3-carbothioamide
CID 57370610
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
3-[2-(4-chlorophenyl)-3-pyridinyl]-2-cyano-3-(diethylamino)prop-2-enoic acid
CID 67115572
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-(N-benzyl-4-chloroanilino)pyridine-3-carboxylate
CID 19800234
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane?
The IUPAC name of methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane (CID 170705123) is methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane.
What is the SMILES notation for methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane?
The canonical SMILES for methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane is CCC.COC(=O)c1cccnc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane?
The InChIKey is XUWOLVKAAJPEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2.C3H8/c1-17-13(16)11-3-2-8-15-12(11)9-4-6-10(14)7-5-9;1-3-2/h2-8H,1H3;3H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane?
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane has a molecular weight of 291.78 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane is sourced from PubChem (CID 170705123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).