3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid

C14H12ClNO3 — CID 63264927

IUPAC3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c15-12-8-11(14(17)18)3-4-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyCTCDDRQSMJCHHU-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.05
Rot. Bonds5

About 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid

3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid (PubChem CID 63264927) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid.

Molecular Properties

Compound Name3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
PubChem CID63264927
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3/c15-12-8-11(14(17)18)3-4-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyCTCDDRQSMJCHHU-UHFFFAOYSA-N
XLogP3.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
CID 63262641
3-chloro-4-[2-(3-pyridin-3-ylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 136550174
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
4-amino-2-(2-pyridin-3-ylethoxy)benzoic acid
CID 106954787
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid?
The IUPAC name of 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid (CID 63264927) is 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid.
What is the SMILES notation for 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid?
The canonical SMILES for 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid is O=C(O)c1ccc(OCCc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid?
The InChIKey is CTCDDRQSMJCHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-12-8-11(14(17)18)3-4-13(12)19-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,18).
What are the key properties of 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid?
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid is sourced from PubChem (CID 63264927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).