4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid

C19H12ClFN2O2 — CID 130362569

IUPAC4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Cc2ccnc(Cl)c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C19H12ClFN2O2/c20-16-8-10(5-6-22-16)7-12-14(21)9-13(19(24)25)18-17(12)11-3-1-2-4-15(11)23-18/h1-6,8-9,23H,7H2,(H,24,25)
InChIKeyYJMJALABBXTMAV-UHFFFAOYSA-N
MW354.77 g/mol
LogP4.80
Rot. Bonds3

About 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid

4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid (PubChem CID 130362569) has the molecular formula C19H12ClFN2O2 and a molecular weight of 354.77 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid
PubChem CID130362569
Molecular FormulaC19H12ClFN2O2
Molecular Weight354.77 g/mol
Exact Mass354.06
IUPAC Name4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid
SMILESO=C(O)c1cc(F)c(Cc2ccnc(Cl)c2)c2c1[nH]c1ccccc12
InChIInChI=1S/C19H12ClFN2O2/c20-16-8-10(5-6-22-16)7-12-14(21)9-13(19(24)25)18-17(12)11-3-1-2-4-15(11)23-18/h1-6,8-9,23H,7H2,(H,24,25)
InChIKeyYJMJALABBXTMAV-UHFFFAOYSA-N
XLogP4.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 54.80
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-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid (CID 130362569) is 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid is O=C(O)c1cc(F)c(Cc2ccnc(Cl)c2)c2c1[nH]c1ccccc12.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid?
The InChIKey is YJMJALABBXTMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2/c20-16-8-10(5-6-22-16)7-12-14(21)9-13(19(24)25)18-17(12)11-3-1-2-4-15(11)23-18/h1-6,8-9,23H,7H2,(H,24,25).
What are the key properties of 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid?
4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid has a molecular weight of 354.77 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid is sourced from PubChem (CID 130362569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).