[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid

C18H13N3O2 — CID 68634426

IUPAC[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2cccc3[nH]c4ccccc4c23)cn1
InChIInChI=1S/C18H13N3O2/c22-18(23)21-16-9-8-11(10-19-16)12-5-3-7-15-17(12)13-4-1-2-6-14(13)20-15/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyCOHOHKULGFUURR-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.47
Rot. Bonds2

About [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid

[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid (PubChem CID 68634426) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid
PubChem CID68634426
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2cccc3[nH]c4ccccc4c23)cn1
InChIInChI=1S/C18H13N3O2/c22-18(23)21-16-9-8-11(10-19-16)12-5-3-7-15-17(12)13-4-1-2-6-14(13)20-15/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyCOHOHKULGFUURR-UHFFFAOYSA-N
XLogP4.47
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid?
The IUPAC name of [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid (CID 68634426) is [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid is O=C(O)Nc1ccc(-c2cccc3[nH]c4ccccc4c23)cn1.
What is the InChIKey of [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid?
The InChIKey is COHOHKULGFUURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(23)21-16-9-8-11(10-19-16)12-5-3-7-15-17(12)13-4-1-2-6-14(13)20-15/h1-10,20H,(H,19,21)(H,22,23).
What are the key properties of [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid?
[5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid has a molecular weight of 303.32 g/mol, XLogP of 4.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9H-carbazol-4-yl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 68634426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).