(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid

C10H8ClN3O2 — CID 19072353

IUPAC(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid
SMILESO=C(O)N(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-9-2-1-7-13(9)14(10(15)16)8-3-5-12-6-4-8/h1-7H,(H,15,16)
InChIKeyFYUTVDJEBFDUKN-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.48
Rot. Bonds2

About (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid

(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid (PubChem CID 19072353) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid.

Molecular Properties

Compound Name(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid
PubChem CID19072353
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid
SMILESO=C(O)N(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-9-2-1-7-13(9)14(10(15)16)8-3-5-12-6-4-8/h1-7H,(H,15,16)
InChIKeyFYUTVDJEBFDUKN-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid?
The IUPAC name of (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid (CID 19072353) is (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid.
What is the SMILES notation for (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid?
The canonical SMILES for (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid is O=C(O)N(c1ccncc1)n1cccc1Cl.
What is the InChIKey of (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid?
The InChIKey is FYUTVDJEBFDUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-9-2-1-7-13(9)14(10(15)16)8-3-5-12-6-4-8/h1-7H,(H,15,16).
What are the key properties of (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid?
(2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid has a molecular weight of 237.65 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrrol-1-yl)-pyridin-4-ylcarbamic acid is sourced from PubChem (CID 19072353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).