CID 67929203

C14H11ClFNNaO4 — CID 67929203

IUPAC—
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O.[Na]
InChIInChI=1S/C14H11ClFNO4.Na/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13;/h2-8H,1H3,(H,18,19);
InChIKeyKODNIMIQDGTLRW-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.14
Rot. Bonds5

About CID 67929203

CID 67929203 (PubChem CID 67929203) has the molecular formula C14H11ClFNNaO4 and a molecular weight of 334.69 g/mol.

Molecular Properties

Compound NameCID 67929203
PubChem CID67929203
Molecular FormulaC14H11ClFNNaO4
Molecular Weight334.69 g/mol
Exact Mass334.03
IUPAC Name—
SMILESCC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O.[Na]
InChIInChI=1S/C14H11ClFNO4.Na/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13;/h2-8H,1H3,(H,18,19);
InChIKeyKODNIMIQDGTLRW-UHFFFAOYSA-N
XLogP3.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
ethynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 139247839
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
2-[4-[(3-amino-5-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11809022
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
CID 155669175
(2-ethoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54054161
2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 90363096
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 141423376
2-[4-[(5-bromo-3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 19704700
(2-butoxy-2-oxoethyl)sulfanyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 54012610
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
CID 141423423
2-chloro-5-[(5-chloro-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 106502943

Frequently Asked Questions

What is the IUPAC name of CID 67929203?
The IUPAC name of CID 67929203 (CID 67929203) is not available.
What is the SMILES notation for CID 67929203?
The canonical SMILES for CID 67929203 is CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)O.[Na].
What is the InChIKey of CID 67929203?
The InChIKey is KODNIMIQDGTLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4.Na/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13;/h2-8H,1H3,(H,18,19);.
What are the key properties of CID 67929203?
CID 67929203 has a molecular weight of 334.69 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67929203 is sourced from PubChem (CID 67929203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).