N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide

C19H13ClN2O2 — CID 4679498

IUPACN-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13ClN2O2/c20-14-8-5-11-21-18(14)22-19(23)17-12-6-1-3-9-15(12)24-16-10-4-2-7-13(16)17/h1-11,17H,(H,21,22,23)
InChIKeyQJBTUXJKWPQGIA-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.61
Rot. Bonds2

About N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide

N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide (PubChem CID 4679498) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide
PubChem CID4679498
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC NameN-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ncccc1Cl)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13ClN2O2/c20-14-8-5-11-21-18(14)22-19(23)17-12-6-1-3-9-15(12)24-16-10-4-2-7-13(16)17/h1-11,17H,(H,21,22,23)
InChIKeyQJBTUXJKWPQGIA-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide (CID 4679498) is N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide is O=C(Nc1ncccc1Cl)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide?
The InChIKey is QJBTUXJKWPQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c20-14-8-5-11-21-18(14)22-19(23)17-12-6-1-3-9-15(12)24-16-10-4-2-7-13(16)17/h1-11,17H,(H,21,22,23).
What are the key properties of N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide?
N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 4679498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).