4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide

C19H13ClFN3O — CID 130362469

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(F)c(Cc2ccc(Cl)nc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C19H13ClFN3O/c20-16-6-5-10(9-23-16)7-12-14(21)8-13(19(22)25)18-17(12)11-3-1-2-4-15(11)24-18/h1-6,8-9,24H,7H2,(H2,22,25)
InChIKeyLJWHWDJYMDIXQO-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.20
Rot. Bonds3

About 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide

4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide (PubChem CID 130362469) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
PubChem CID130362469
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(F)c(Cc2ccc(Cl)nc2)c2c1[nH]c1ccccc12
InChIInChI=1S/C19H13ClFN3O/c20-16-6-5-10(9-23-16)7-12-14(21)8-13(19(22)25)18-17(12)11-3-1-2-4-15(11)24-18/h1-6,8-9,24H,7H2,(H2,22,25)
InChIKeyLJWHWDJYMDIXQO-UHFFFAOYSA-N
XLogP4.20
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide (CID 130362469) is 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide is NC(=O)c1cc(F)c(Cc2ccc(Cl)nc2)c2c1[nH]c1ccccc12.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
The InChIKey is LJWHWDJYMDIXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c20-16-6-5-10(9-23-16)7-12-14(21)8-13(19(22)25)18-17(12)11-3-1-2-4-15(11)24-18/h1-6,8-9,24H,7H2,(H2,22,25).
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide?
4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide has a molecular weight of 353.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).