10-(5-chloropyrimidin-2-yl)decanoic acid

C14H21ClN2O2 — CID 150177682

IUPAC10-(5-chloropyrimidin-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ncc(Cl)cn1
InChIInChI=1S/C14H21ClN2O2/c15-12-10-16-13(17-11-12)8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9H2,(H,18,19)
InChIKeyFKTJWOBOJLNCQO-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.88
Rot. Bonds10

About 10-(5-chloropyrimidin-2-yl)decanoic acid

10-(5-chloropyrimidin-2-yl)decanoic acid (PubChem CID 150177682) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 10-(5-chloropyrimidin-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(5-chloropyrimidin-2-yl)decanoic acid
PubChem CID150177682
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name10-(5-chloropyrimidin-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ncc(Cl)cn1
InChIInChI=1S/C14H21ClN2O2/c15-12-10-16-13(17-11-12)8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9H2,(H,18,19)
InChIKeyFKTJWOBOJLNCQO-UHFFFAOYSA-N
XLogP3.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloropyrimidin-2-yl)propanoate
CID 131736713
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
6-pyridin-4-ylhexanoic acid
CID 12904562
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
8-pyrazin-2-yloctanoic acid
CID 67107978
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 10-(5-chloropyrimidin-2-yl)decanoic acid?
The IUPAC name of 10-(5-chloropyrimidin-2-yl)decanoic acid (CID 150177682) is 10-(5-chloropyrimidin-2-yl)decanoic acid.
What is the SMILES notation for 10-(5-chloropyrimidin-2-yl)decanoic acid?
The canonical SMILES for 10-(5-chloropyrimidin-2-yl)decanoic acid is O=C(O)CCCCCCCCCc1ncc(Cl)cn1.
What is the InChIKey of 10-(5-chloropyrimidin-2-yl)decanoic acid?
The InChIKey is FKTJWOBOJLNCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-12-10-16-13(17-11-12)8-6-4-2-1-3-5-7-9-14(18)19/h10-11H,1-9H2,(H,18,19).
What are the key properties of 10-(5-chloropyrimidin-2-yl)decanoic acid?
10-(5-chloropyrimidin-2-yl)decanoic acid has a molecular weight of 284.79 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-chloropyrimidin-2-yl)decanoic acid is sourced from PubChem (CID 150177682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).