4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

C16H10ClFN4O2 — CID 52913681

IUPAC4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C16H10ClFN4O2/c17-10-1-2-21-15(3-10)16(23)22-12-4-11(18)5-13(6-12)24-14-7-19-9-20-8-14/h1-9H,(H,22,23)
InChIKeyLAVUZCDTMFWIAB-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 52913681) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
PubChem CID52913681
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C16H10ClFN4O2/c17-10-1-2-21-15(3-10)16(23)22-12-4-11(18)5-13(6-12)24-14-7-19-9-20-8-14/h1-9H,(H,22,23)
InChIKeyLAVUZCDTMFWIAB-UHFFFAOYSA-N
XLogP3.71
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (CID 52913681) is 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is LAVUZCDTMFWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-10-1-2-21-15(3-10)16(23)22-12-4-11(18)5-13(6-12)24-14-7-19-9-20-8-14/h1-9H,(H,22,23).
What are the key properties of 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?
4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 344.73 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 52913681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).