(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid

C9H4FN3O2S — CID 170165248

IUPAC(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
SMILESN#Cc1c(NC(=O)O)sc2c(F)cncc12
InChIInChI=1S/C9H4FN3O2S/c10-6-3-12-2-5-4(1-11)8(13-9(14)15)16-7(5)6/h2-3,13H,(H,14,15)
InChIKeyUWXMQICPNZPDGD-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.40
Rot. Bonds1

About (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid

(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid (PubChem CID 170165248) has the molecular formula C9H4FN3O2S and a molecular weight of 237.21 g/mol. Its IUPAC name is (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
PubChem CID170165248
Molecular FormulaC9H4FN3O2S
Molecular Weight237.21 g/mol
Exact Mass237.00
IUPAC Name(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid
SMILESN#Cc1c(NC(=O)O)sc2c(F)cncc12
InChIInChI=1S/C9H4FN3O2S/c10-6-3-12-2-5-4(1-11)8(13-9(14)15)16-7(5)6/h2-3,13H,(H,14,15)
InChIKeyUWXMQICPNZPDGD-UHFFFAOYSA-N
XLogP2.40
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid?
The IUPAC name of (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid (CID 170165248) is (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid.
What is the SMILES notation for (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid?
The canonical SMILES for (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid is N#Cc1c(NC(=O)O)sc2c(F)cncc12.
What is the InChIKey of (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid?
The InChIKey is UWXMQICPNZPDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN3O2S/c10-6-3-12-2-5-4(1-11)8(13-9(14)15)16-7(5)6/h2-3,13H,(H,14,15).
What are the key properties of (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid?
(3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid has a molecular weight of 237.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-7-fluorothieno[3,2-c]pyridin-2-yl)carbamic acid is sourced from PubChem (CID 170165248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).