(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate

C19H13ClFNO3 — CID 177378873

IUPAC(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyKPTCFQSFRDOBIJ-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.67
Rot. Bonds5

About (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate

(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate (PubChem CID 177378873) has the molecular formula C19H13ClFNO3 and a molecular weight of 357.77 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
PubChem CID177378873
Molecular FormulaC19H13ClFNO3
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyKPTCFQSFRDOBIJ-UHFFFAOYSA-N
XLogP4.67
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
4-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzoic acid
CID 106698444
(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
CID 91699651
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
1-adamantyl-(2-fluoro-4-phenylmethoxyphenyl)methanone
CID 67219242
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate?
The IUPAC name of (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate (CID 177378873) is (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate?
The canonical SMILES for (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate is O=C(Oc1cncc(Cl)c1)c1ccc(OCc2ccccc2)cc1F.
What is the InChIKey of (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate?
The InChIKey is KPTCFQSFRDOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3/c20-14-8-16(11-22-10-14)25-19(23)17-7-6-15(9-18(17)21)24-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate?
(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate has a molecular weight of 357.77 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate is sourced from PubChem (CID 177378873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).